1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea;1-[3-(1,1-difluoroethoxy)phenyl]-3-[3-(4-methoxyphenoxy)cyclopentyl]propan-2-one;N-[5-[[4-[3-[3-(1,1-difluoroethoxy)phenyl]-2-oxopropyl]cyclohexyl]methyl]-2-(trifluoromethoxy)phenyl]acetamide;1-[3-[4-(1,1-difluoroethyl)phenoxy]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea

C95H104F17N5O13 — CID 159176266

IUPAC1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea;1-[3-(1,1-difluoroethoxy)phenyl]-3-[3-(4-methoxyphenoxy)cyclopentyl]propan-2-one;N-[5-[[4-[3-[3-(1,1-difluoroethoxy)phenyl]-2-oxopropyl]cyclohexyl]methyl]-2-(trifluoromethoxy)phenyl]acetamide;1-[3-[4-(1,1-difluoroethyl)phenoxy]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCC(=O)Nc1cc(CC2CCC(CC(=O)Cc3cccc(OC(C)(F)F)c3)CC2)ccc1OC(F)(F)F.CC(F)(F)Oc1ccc(OC2CCC(NC(=O)Nc3cccc(CC(F)(F)F)c3)CC2)cc1.CC(F)(F)c1ccc(OC2CCCC(NC(=O)Nc3cccc(C(F)(F)F)c3)C2)cc1.COc1ccc(OC2CCC(CC(=O)Cc3cccc(OC(C)(F)F)c3)C2)cc1
InChIInChI=1S/C27H30F5NO4.C23H25F5N2O3.C23H26F2O4.C22H23F5N2O2/c1-17(34)33-24-16-21(10-11-25(24)37-27(30,31)32)12-18-6-8-19(9-7-18)13-22(35)14-20-4-3-5-23(15-20)36-26(2,28)29;1-22(24,25)33-20-11-9-19(10-12-20)32-18-7-5-16(6-8-18)29-21(31)30-17-4-2-3-15(13-17)14-23(26,27)28;1-23(24,25)29-22-5-3-4-16(15-22)12-18(26)13-17-6-7-21(14-17)28-20-10-8-19(27-2)9-11-20;1-21(23,24)14-8-10-18(11-9-14)31-19-7-3-6-17(13-19)29-20(30)28-16-5-2-4-15(12-16)22(25,26)27/h3-5,10-11,15-16,18-19H,6-9,12-14H2,1-2H3,(H,33,34);2-4,9-13,16,18H,5-8,14H2,1H3,(H2,29,30,31);3-5,8-11,15,17,21H,6-7,12-14H2,1-2H3;2,4-5,8-12,17,19H,3,6-7,13H2,1H3,(H2,28,29,30)
InChIKeyKMHYFFCKCFLAIP-UHFFFAOYSA-N
MW1846.86 g/mol
LogP25.15
Rot. Bonds31

About 1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea;1-[3-(1,1-difluoroethoxy)phenyl]-3-[3-(4-methoxyphenoxy)cyclopentyl]propan-2-one;N-[5-[[4-[3-[3-(1,1-difluoroethoxy)phenyl]-2-oxopropyl]cyclohexyl]methyl]-2-(trifluoromethoxy)phenyl]acetamide;1-[3-[4-(1,1-difluoroethyl)phenoxy]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea

1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea;1-[3-(1,1-difluoroethoxy)phenyl]-3-[3-(4-methoxyphenoxy)cyclopentyl]propan-2-one;N-[5-[[4-[3-[3-(1,1-difluoroethoxy)phenyl]-2-oxopropyl]cyclohexyl]methyl]-2-(trifluoromethoxy)phenyl]acetamide;1-[3-[4-(1,1-difluoroethyl)phenoxy]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 159176266) has the molecular formula C95H104F17N5O13 and a molecular weight of 1846.86 g/mol. Its IUPAC name is 1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea;1-[3-(1,1-difluoroethoxy)phenyl]-3-[3-(4-methoxyphenoxy)cyclopentyl]propan-2-one;N-[5-[[4-[3-[3-(1,1-difluoroethoxy)phenyl]-2-oxopropyl]cyclohexyl]methyl]-2-(trifluoromethoxy)phenyl]acetamide;1-[3-[4-(1,1-difluoroethyl)phenoxy]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea;1-[3-(1,1-difluoroethoxy)phenyl]-3-[3-(4-methoxyphenoxy)cyclopentyl]propan-2-one;N-[5-[[4-[3-[3-(1,1-difluoroethoxy)phenyl]-2-oxopropyl]cyclohexyl]methyl]-2-(trifluoromethoxy)phenyl]acetamide;1-[3-[4-(1,1-difluoroethyl)phenoxy]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID159176266
Molecular FormulaC95H104F17N5O13
Molecular Weight1846.86 g/mol
Exact Mass1845.74
IUPAC Name1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea;1-[3-(1,1-difluoroethoxy)phenyl]-3-[3-(4-methoxyphenoxy)cyclopentyl]propan-2-one;N-[5-[[4-[3-[3-(1,1-difluoroethoxy)phenyl]-2-oxopropyl]cyclohexyl]methyl]-2-(trifluoromethoxy)phenyl]acetamide;1-[3-[4-(1,1-difluoroethyl)phenoxy]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCC(=O)Nc1cc(CC2CCC(CC(=O)Cc3cccc(OC(C)(F)F)c3)CC2)ccc1OC(F)(F)F.CC(F)(F)Oc1ccc(OC2CCC(NC(=O)Nc3cccc(CC(F)(F)F)c3)CC2)cc1.CC(F)(F)c1ccc(OC2CCCC(NC(=O)Nc3cccc(C(F)(F)F)c3)C2)cc1.COc1ccc(OC2CCC(CC(=O)Cc3cccc(OC(C)(F)F)c3)C2)cc1
InChIInChI=1S/C27H30F5NO4.C23H25F5N2O3.C23H26F2O4.C22H23F5N2O2/c1-17(34)33-24-16-21(10-11-25(24)37-27(30,31)32)12-18-6-8-19(9-7-18)13-22(35)14-20-4-3-5-23(15-20)36-26(2,28)29;1-22(24,25)33-20-11-9-19(10-12-20)32-18-7-5-16(6-8-18)29-21(31)30-17-4-2-3-15(13-17)14-23(26,27)28;1-23(24,25)29-22-5-3-4-16(15-22)12-18(26)13-17-6-7-21(14-17)28-20-10-8-19(27-2)9-11-20;1-21(23,24)14-8-10-18(11-9-14)31-19-7-3-6-17(13-19)29-20(30)28-16-5-2-4-15(12-16)22(25,26)27/h3-5,10-11,15-16,18-19H,6-9,12-14H2,1-2H3,(H,33,34);2-4,9-13,16,18H,5-8,14H2,1H3,(H2,29,30,31);3-5,8-11,15,17,21H,6-7,12-14H2,1-2H3;2,4-5,8-12,17,19H,3,6-7,13H2,1H3,(H2,28,29,30)
InChIKeyKMHYFFCKCFLAIP-UHFFFAOYSA-N
XLogP25.15
TPSA219.34 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds31
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001846.86
LogP ≤ 525.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea;1-[3-(1,1-difluoroethoxy)phenyl]-3-[3-(4-methoxyphenoxy)cyclopentyl]propan-2-one;N-[5-[[4-[3-[3-(1,1-difluoroethoxy)phenyl]-2-oxopropyl]cyclohexyl]methyl]-2-(trifluoromethoxy)phenyl]acetamide;1-[3-[4-(1,1-difluoroethyl)phenoxy]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-[(1S,3S)-3-[4-(1,1-difluoroethyl)phenoxy]cyclopentyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 156724550
1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea
CID 122660584
N-propyl-2-(trifluoromethoxy)-5-[[3-[[3-(trifluoromethoxy)phenyl]carbamoylamino]cyclopentyl]methyl]benzamide
CID 122660585
1-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-3-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]urea
CID 122662399
1-[3-[3-(4-piperidin-1-ylbutanoyl)-4-(trifluoromethoxy)phenoxy]cyclopentyl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 159484984
5-(1,1-difluoroethoxy)-N-[2-(4-methylpiperazin-1-yl)ethyl]-2-[3-[[3-(trifluoromethoxy)phenyl]carbamoylamino]cyclopentyl]oxybenzamide
CID 122660559
1-(4-methoxyphenyl)-3-[(1S,3R)-3-(2,2,2-trifluoroethoxy)cyclohexyl]urea
CID 38885386
2-[4-[[3-(1,1-difluoroethoxy)phenyl]carbamothioylamino]cyclohexyl]oxy-5-(trifluoromethoxy)benzoic acid
CID 122660552
1-(3-methoxyphenyl)-3-[3-[(3-methoxyphenyl)carbamoylamino]cyclohexyl]urea
CID 10295162
1-[3-[3-(1-hydroxyethylamino)-4-(trifluoromethoxy)phenoxy]cyclopentyl]-3-[3-(trifluoromethoxy)phenyl]thiourea
CID 144808226
1-cyclohexyl-3-[2-methoxy-5-(trifluoromethyl)phenyl]urea;3-(methoxymethyl)pyridine
CID 145268916
1-(2-methoxyphenyl)-3-[3-(2,2,2-trifluoroethoxy)cyclohexyl]urea
CID 42956451

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea;1-[3-(1,1-difluoroethoxy)phenyl]-3-[3-(4-methoxyphenoxy)cyclopentyl]propan-2-one;N-[5-[[4-[3-[3-(1,1-difluoroethoxy)phenyl]-2-oxopropyl]cyclohexyl]methyl]-2-(trifluoromethoxy)phenyl]acetamide;1-[3-[4-(1,1-difluoroethyl)phenoxy]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea;1-[3-(1,1-difluoroethoxy)phenyl]-3-[3-(4-methoxyphenoxy)cyclopentyl]propan-2-one;N-[5-[[4-[3-[3-(1,1-difluoroethoxy)phenyl]-2-oxopropyl]cyclohexyl]methyl]-2-(trifluoromethoxy)phenyl]acetamide;1-[3-[4-(1,1-difluoroethyl)phenoxy]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 159176266) is 1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea;1-[3-(1,1-difluoroethoxy)phenyl]-3-[3-(4-methoxyphenoxy)cyclopentyl]propan-2-one;N-[5-[[4-[3-[3-(1,1-difluoroethoxy)phenyl]-2-oxopropyl]cyclohexyl]methyl]-2-(trifluoromethoxy)phenyl]acetamide;1-[3-[4-(1,1-difluoroethyl)phenoxy]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea;1-[3-(1,1-difluoroethoxy)phenyl]-3-[3-(4-methoxyphenoxy)cyclopentyl]propan-2-one;N-[5-[[4-[3-[3-(1,1-difluoroethoxy)phenyl]-2-oxopropyl]cyclohexyl]methyl]-2-(trifluoromethoxy)phenyl]acetamide;1-[3-[4-(1,1-difluoroethyl)phenoxy]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea;1-[3-(1,1-difluoroethoxy)phenyl]-3-[3-(4-methoxyphenoxy)cyclopentyl]propan-2-one;N-[5-[[4-[3-[3-(1,1-difluoroethoxy)phenyl]-2-oxopropyl]cyclohexyl]methyl]-2-(trifluoromethoxy)phenyl]acetamide;1-[3-[4-(1,1-difluoroethyl)phenoxy]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea is CC(=O)Nc1cc(CC2CCC(CC(=O)Cc3cccc(OC(C)(F)F)c3)CC2)ccc1OC(F)(F)F.CC(F)(F)Oc1ccc(OC2CCC(NC(=O)Nc3cccc(CC(F)(F)F)c3)CC2)cc1.CC(F)(F)c1ccc(OC2CCCC(NC(=O)Nc3cccc(C(F)(F)F)c3)C2)cc1.COc1ccc(OC2CCC(CC(=O)Cc3cccc(OC(C)(F)F)c3)C2)cc1.
What is the InChIKey of 1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea;1-[3-(1,1-difluoroethoxy)phenyl]-3-[3-(4-methoxyphenoxy)cyclopentyl]propan-2-one;N-[5-[[4-[3-[3-(1,1-difluoroethoxy)phenyl]-2-oxopropyl]cyclohexyl]methyl]-2-(trifluoromethoxy)phenyl]acetamide;1-[3-[4-(1,1-difluoroethyl)phenoxy]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is KMHYFFCKCFLAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30F5NO4.C23H25F5N2O3.C23H26F2O4.C22H23F5N2O2/c1-17(34)33-24-16-21(10-11-25(24)37-27(30,31)32)12-18-6-8-19(9-7-18)13-22(35)14-20-4-3-5-23(15-20)36-26(2,28)29;1-22(24,25)33-20-11-9-19(10-12-20)32-18-7-5-16(6-8-18)29-21(31)30-17-4-2-3-15(13-17)14-23(26,27)28;1-23(24,25)29-22-5-3-4-16(15-22)12-18(26)13-17-6-7-21(14-17)28-20-10-8-19(27-2)9-11-20;1-21(23,24)14-8-10-18(11-9-14)31-19-7-3-6-17(13-19)29-20(30)28-16-5-2-4-15(12-16)22(25,26)27/h3-5,10-11,15-16,18-19H,6-9,12-14H2,1-2H3,(H,33,34);2-4,9-13,16,18H,5-8,14H2,1H3,(H2,29,30,31);3-5,8-11,15,17,21H,6-7,12-14H2,1-2H3;2,4-5,8-12,17,19H,3,6-7,13H2,1H3,(H2,28,29,30).
What are the key properties of 1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea;1-[3-(1,1-difluoroethoxy)phenyl]-3-[3-(4-methoxyphenoxy)cyclopentyl]propan-2-one;N-[5-[[4-[3-[3-(1,1-difluoroethoxy)phenyl]-2-oxopropyl]cyclohexyl]methyl]-2-(trifluoromethoxy)phenyl]acetamide;1-[3-[4-(1,1-difluoroethyl)phenoxy]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea?
1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea;1-[3-(1,1-difluoroethoxy)phenyl]-3-[3-(4-methoxyphenoxy)cyclopentyl]propan-2-one;N-[5-[[4-[3-[3-(1,1-difluoroethoxy)phenyl]-2-oxopropyl]cyclohexyl]methyl]-2-(trifluoromethoxy)phenyl]acetamide;1-[3-[4-(1,1-difluoroethyl)phenoxy]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 1846.86 g/mol, XLogP of 25.15, 31 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(1,1-difluoroethoxy)phenoxy]cyclohexyl]-3-[3-(2,2,2-trifluoroethyl)phenyl]urea;1-[3-(1,1-difluoroethoxy)phenyl]-3-[3-(4-methoxyphenoxy)cyclopentyl]propan-2-one;N-[5-[[4-[3-[3-(1,1-difluoroethoxy)phenyl]-2-oxopropyl]cyclohexyl]methyl]-2-(trifluoromethoxy)phenyl]acetamide;1-[3-[4-(1,1-difluoroethyl)phenoxy]cyclohexyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 159176266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).