3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea

C18H20ClN3O — CID 150027753

IUPAC3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)N(Cc1ccccn1)C1CCCC1
InChIInChI=1S/C18H20ClN3O/c19-14-8-10-15(11-9-14)21-18(23)22(17-6-1-2-7-17)13-16-5-3-4-12-20-16/h3-5,8-12,17H,1-2,6-7,13H2,(H,21,23)
InChIKeyDGPFDNQYTNOBMY-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.71
Rot. Bonds4

About 3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea

3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea (PubChem CID 150027753) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea
PubChem CID150027753
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea
SMILESO=C(Nc1ccc(Cl)cc1)N(Cc1ccccn1)C1CCCC1
InChIInChI=1S/C18H20ClN3O/c19-14-8-10-15(11-9-14)21-18(23)22(17-6-1-2-7-17)13-16-5-3-4-12-20-16/h3-5,8-12,17H,1-2,6-7,13H2,(H,21,23)
InChIKeyDGPFDNQYTNOBMY-UHFFFAOYSA-N
XLogP4.71
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 67700978
3-(4-chlorophenyl)-1-cyclohexyl-1-[(2-hydroxyphenyl)methyl]urea
CID 56541453
1-cyclohexyl-3-(1-propan-2-ylpyrazol-4-yl)-1-(pyridin-2-ylmethyl)urea
CID 118782661
3-(4-chlorophenyl)-1-cyclopentyl-1-[(1S)-1-pyridin-2-ylethyl]urea
CID 159086975
1-[(2-chlorophenyl)methyl]-1-cyclopentyl-3-phenylurea
CID 151779518
1-cyclopentyl-3-phenyl-1-(1,3-thiazol-2-ylmethyl)urea
CID 150356043
N-[(4S)-azepan-4-yl]-5-chloro-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 129474225
N-(4-chlorophenyl)-2-[methylsulfonyl(pyridin-2-ylmethyl)amino]acetamide
CID 113151514
3-(4-chlorophenyl)-1-cyclohexyl-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]urea
CID 4213584
(4-chlorophenyl)methyl N-[4-(pyridin-2-ylmethyl)phenyl]carbamate
CID 171824793
N-cyclopropyl-N-(pyridin-2-ylmethyl)propanamide
CID 60668331
1-cyclopentyl-3-(2,6-dimethylphenyl)-1-(pyridin-2-ylmethyl)thiourea
CID 4049606

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea?
The IUPAC name of 3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea (CID 150027753) is 3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea.
What is the SMILES notation for 3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea?
The canonical SMILES for 3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea is O=C(Nc1ccc(Cl)cc1)N(Cc1ccccn1)C1CCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea?
The InChIKey is DGPFDNQYTNOBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-14-8-10-15(11-9-14)21-18(23)22(17-6-1-2-7-17)13-16-5-3-4-12-20-16/h3-5,8-12,17H,1-2,6-7,13H2,(H,21,23).
What are the key properties of 3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea?
3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea has a molecular weight of 329.83 g/mol, XLogP of 4.71, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-cyclopentyl-1-(pyridin-2-ylmethyl)urea is sourced from PubChem (CID 150027753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).