1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea

C38H42Cl2N4O2 — CID 67700978

IUPAC1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
SMILESO=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1.O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/2C19H21ClN2O/c2*20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h2*1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)
InChIKeyHDZUSAYORGUHMH-UHFFFAOYSA-N
MW657.69 g/mol
LogP10.63
Rot. Bonds8

About 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea

1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea (PubChem CID 67700978) has the molecular formula C38H42Cl2N4O2 and a molecular weight of 657.69 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
PubChem CID67700978
Molecular FormulaC38H42Cl2N4O2
Molecular Weight657.69 g/mol
Exact Mass656.27
IUPAC Name1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
SMILESO=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1.O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1
InChIInChI=1S/2C19H21ClN2O/c2*20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h2*1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23)
InChIKeyHDZUSAYORGUHMH-UHFFFAOYSA-N
XLogP10.63
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500657.69
LogP ≤ 510.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 151779518
3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea
CID 56541453
1-cyclopentyl-3-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]urea
CID 13201307
3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea
CID 150027753
1-(1-benzylpiperidin-4-yl)-1-[(4-chlorophenyl)methyl]-3-(4-methylsulfanylphenyl)urea
CID 42696418
1-(3-aminopropyl)-1-cyclopentyl-3-phenylurea
CID 43319508
3-(4-chlorophenyl)-1-cyclohexyl-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
CID 4213584
methyl 2-[cyclopentyl(phenylcarbamoyl)amino]acetate
CID 115536075
1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 150356043
1-(1-benzylpiperidin-4-yl)-3-(4-fluorophenyl)-1-[(4-fluorophenyl)methyl]urea
CID 141100659
1-[[4-(4-chlorophenoxy)phenyl]methyl]-1-cycloheptyl-3-(2,4,6-trimethylphenyl)urea
CID 67698698
1-(1-acetylpiperidin-4-yl)-1-[(4-methoxyphenyl)methyl]-3-phenylurea
CID 20908043

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea (CID 67700978) is 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea is O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1.O=C(Nc1ccccc1)N(Cc1ccc(Cl)cc1)C1CCCC1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea?
The InChIKey is HDZUSAYORGUHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H21ClN2O/c2*20-16-12-10-15(11-13-16)14-22(18-8-4-5-9-18)19(23)21-17-6-2-1-3-7-17/h2*1-3,6-7,10-13,18H,4-5,8-9,14H2,(H,21,23).
What are the key properties of 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea?
1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea has a molecular weight of 657.69 g/mol, XLogP of 10.63, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea is sourced from PubChem (CID 67700978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).