1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea

C20H21F3N2O2 — CID 13201307

IUPAC1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
SMILESO=C(Nc1ccccc1)N(Cc1ccc(OC(F)(F)F)cc1)C1CCCC1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)27-18-12-10-15(11-13-18)14-25(17-8-4-5-9-17)19(26)24-16-6-2-1-3-7-16/h1-3,6-7,10-13,17H,4-5,8-9,14H2,(H,24,26)
InChIKeyDSVFEMOFTILHBO-UHFFFAOYSA-N
MW378.39 g/mol
LogP5.56
Rot. Bonds5

About 1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea

1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea (PubChem CID 13201307) has the molecular formula C20H21F3N2O2 and a molecular weight of 378.39 g/mol. Its IUPAC name is 1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
PubChem CID13201307
Molecular FormulaC20H21F3N2O2
Molecular Weight378.39 g/mol
Exact Mass378.16
IUPAC Name1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
SMILESO=C(Nc1ccccc1)N(Cc1ccc(OC(F)(F)F)cc1)C1CCCC1
InChIInChI=1S/C20H21F3N2O2/c21-20(22,23)27-18-12-10-15(11-13-18)14-25(17-8-4-5-9-17)19(26)24-16-6-2-1-3-7-16/h1-3,6-7,10-13,17H,4-5,8-9,14H2,(H,24,26)
InChIKeyDSVFEMOFTILHBO-UHFFFAOYSA-N
XLogP5.56
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.39
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 67700978
1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea
CID 20908043
4-[[4-[(3-methoxy-3-oxopropyl)carbamoyl]phenyl]methyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]piperidine-1-carboxylic acid
CID 22502136
3-[[4-[[(3,4-dimethylcyclohexyl)-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]benzoyl]amino]propanoic acid
CID 18347005
1-benzyl-1-(1-pentan-2-ylpiperidin-4-yl)-3-[3-(trifluoromethoxy)phenyl]urea
CID 126711574
1-cyclopropyl-1-(imidazo[1,2-a]pyridin-7-ylmethyl)-3-[4-(trifluoromethoxy)phenyl]urea
CID 170752835
2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16577681
methyl 2-[cyclopentyl(phenylcarbamoyl)amino]acetate
CID 115536075
1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 151779518
1-cyclopropyl-1-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)urea
CID 30938797
2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride
CID 53351089
N-[3-[[1-(3-amino-2,2-dimethylpropoxy)-2-methylpropan-2-yl]amino]-3-oxopropyl]-4-[[cyclohexyl-[[4-(trifluoromethoxy)phenyl]carbamoyl]amino]methyl]benzamide;2-methylpropane
CID 178135810

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The IUPAC name of 1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea (CID 13201307) is 1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea is O=C(Nc1ccccc1)N(Cc1ccc(OC(F)(F)F)cc1)C1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea?
The InChIKey is DSVFEMOFTILHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O2/c21-20(22,23)27-18-12-10-15(11-13-18)14-25(17-8-4-5-9-17)19(26)24-16-6-2-1-3-7-16/h1-3,6-7,10-13,17H,4-5,8-9,14H2,(H,24,26).
What are the key properties of 1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea?
1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea has a molecular weight of 378.39 g/mol, XLogP of 5.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea is sourced from PubChem (CID 13201307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).