3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylbenzamide

C22H23ClF3N3O3 — CID 71682349

IUPAC3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylbenzamide
SMILESCNC(=O)c1cccc(OC2CCC(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C22H23ClF3N3O3/c1-27-20(30)13-3-2-4-17(11-13)32-16-8-5-14(6-9-16)28-21(31)29-15-7-10-19(23)18(12-15)22(24,25)26/h2-4,7,10-12,14,16H,5-6,8-9H2,1H3,(H,27,30)(H2,28,29,31)
InChIKeyTXYLJBZWPCKJLZ-UHFFFAOYSA-N
MW469.89 g/mol
LogP5.23
Rot. Bonds5

About 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylbenzamide

3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylbenzamide (PubChem CID 71682349) has the molecular formula C22H23ClF3N3O3 and a molecular weight of 469.89 g/mol. Its IUPAC name is 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylbenzamide.

Molecular Properties

Compound Name3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylbenzamide
PubChem CID71682349
Molecular FormulaC22H23ClF3N3O3
Molecular Weight469.89 g/mol
Exact Mass469.14
IUPAC Name3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylbenzamide
SMILESCNC(=O)c1cccc(OC2CCC(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)c1
InChIInChI=1S/C22H23ClF3N3O3/c1-27-20(30)13-3-2-4-17(11-13)32-16-8-5-14(6-9-16)28-21(31)29-15-7-10-19(23)18(12-15)22(24,25)26/h2-4,7,10-12,14,16H,5-6,8-9H2,1H3,(H,27,30)(H2,28,29,31)
InChIKeyTXYLJBZWPCKJLZ-UHFFFAOYSA-N
XLogP5.23
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.89
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-(4-(4-Chlorophenyl)piperazin-1-yl)ethyl)-3-methoxybenzamide
CID 3626837
N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide
CID 60196738
4-[4-[[4-(Trifluoromethoxy)phenyl]carbamoylamino]cyclohexyl]oxybenzamide
CID 130431473
N-{4-[4-(4-Chloro-phenyl)-piperazin-1-yl]-butyl}-3-methoxy-benzamide
CID 10644771
trans-4-{4-[3-(4-Trifluoromethoxyphenyl)ureido]cyclohexyloxy}benzoic acid
CID 44427448
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylbenzamide
CID 60196633
trans-4-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido]-cyclohexyloxy}-benzoic acid
CID 60196634
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-methoxybenzamide
CID 774420
N-(2-{[(4-chloroanilino)carbonyl]amino}ethyl)-2,5-bis(2,2,2-trifluoroethoxy)benzenecarboxamide
CID 3739263
N-{5-[4-(4-Chloro-phenyl)-piperazin-1-yl]-pentyl}-3-methoxy-benzamide
CID 10811814
3-[4-[[[4-chloro-3-(trifluoromethyl)anilino]-oxomethyl]amino]phenoxy]-N-methylbenzamide
CID 10173949
3-{4-[3-(4-Chloro-3-trifluoromethyl-phenyl)-ureido]-phenoxy}-N-(2-morpholin-4-yl-ethyl)-benzamide
CID 10196590

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylbenzamide?
The IUPAC name of 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylbenzamide (CID 71682349) is 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylbenzamide.
What is the SMILES notation for 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylbenzamide?
The canonical SMILES for 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylbenzamide is CNC(=O)c1cccc(OC2CCC(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)CC2)c1.
What is the InChIKey of 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylbenzamide?
The InChIKey is TXYLJBZWPCKJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClF3N3O3/c1-27-20(30)13-3-2-4-17(11-13)32-16-8-5-14(6-9-16)28-21(31)29-15-7-10-19(23)18(12-15)22(24,25)26/h2-4,7,10-12,14,16H,5-6,8-9H2,1H3,(H,27,30)(H2,28,29,31).
What are the key properties of 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylbenzamide?
3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylbenzamide has a molecular weight of 469.89 g/mol, XLogP of 5.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]cyclohexyl]oxy-N-methylbenzamide is sourced from PubChem (CID 71682349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).