1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea

C13H17ClN2O — CID 38887276

IUPAC1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
SMILESO=C(NCC1CCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c14-11-6-3-7-12(8-11)16-13(17)15-9-10-4-1-2-5-10/h3,6-8,10H,1-2,4-5,9H2,(H2,15,16,17)
InChIKeyMLICSOZPSHCMMF-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.65
Rot. Bonds3

About 1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea

1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea (PubChem CID 38887276) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
PubChem CID38887276
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea
SMILESO=C(NCC1CCCC1)Nc1cccc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c14-11-6-3-7-12(8-11)16-13(17)15-9-10-4-1-2-5-10/h3,6-8,10H,1-2,4-5,9H2,(H2,15,16,17)
InChIKeyMLICSOZPSHCMMF-UHFFFAOYSA-N
XLogP3.65
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-chlorophenyl)-3-[(4-hydroxycyclohexyl)methyl]urea
CID 106124989
1-(cyclohexylmethyl)-3-(3,4-dichlorophenyl)urea
CID 5235617
1-(3-chlorophenyl)-3-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]urea
CID 110747933
cyclohexylmethyl N-(3-chlorophenyl)carbamate
CID 27108719
1-(cyclohexylmethyl)-3-(3-nitrophenyl)urea
CID 31772081
1-(3-chlorophenyl)-3-(2-cyclohexyl-2-hydroxyethyl)urea
CID 90498971
2-[3-(cyclobutylmethylcarbamoylamino)phenyl]acetic acid
CID 65345766
[2-(3-chloroanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2386731
(2R)-2-(3-chloroanilino)-N-(cyclohexylmethyl)propanamide
CID 9400895
1-(3-chlorophenyl)-3-[2-(oxan-3-yl)ethyl]urea
CID 118782410
N-(3-chlorophenyl)-3-cyclohexylpropanamide
CID 803651
1-[[1-[(5-chloro-2-methoxyphenyl)methyl]piperidin-4-yl]methyl]-3-(3-chlorophenyl)urea
CID 1259121

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea?
The IUPAC name of 1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea (CID 38887276) is 1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea?
The canonical SMILES for 1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea is O=C(NCC1CCCC1)Nc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea?
The InChIKey is MLICSOZPSHCMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-11-6-3-7-12(8-11)16-13(17)15-9-10-4-1-2-5-10/h3,6-8,10H,1-2,4-5,9H2,(H2,15,16,17).
What are the key properties of 1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea?
1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea has a molecular weight of 252.74 g/mol, XLogP of 3.65, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(cyclopentylmethyl)urea is sourced from PubChem (CID 38887276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).