1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea

C14H19BrN2O2 — CID 111925840

IUPAC1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
SMILESCc1ccc(NC(=O)NC2(CO)CCCC2)c(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-10-4-5-12(11(15)8-10)16-13(19)17-14(9-18)6-2-3-7-14/h4-5,8,18H,2-3,6-7,9H2,1H3,(H2,16,17,19)
InChIKeyKTMVIBYHMBWQHA-UHFFFAOYSA-N
MW327.22 g/mol
LogP3.18
Rot. Bonds3

About 1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea

1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea (PubChem CID 111925840) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
PubChem CID111925840
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
SMILESCc1ccc(NC(=O)NC2(CO)CCCC2)c(Br)c1
InChIInChI=1S/C14H19BrN2O2/c1-10-4-5-12(11(15)8-10)16-13(19)17-14(9-18)6-2-3-7-14/h4-5,8,18H,2-3,6-7,9H2,1H3,(H2,16,17,19)
InChIKeyKTMVIBYHMBWQHA-UHFFFAOYSA-N
XLogP3.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[1-[(2,4-dimethylphenyl)carbamoylamino]cyclopentyl]acetic acid
CID 64699643
1-(2-bromo-4-methylphenyl)-3-[2-(hydroxymethyl)-2-methylcyclopentyl]urea
CID 111473081
1-(2-bromo-4-methylphenyl)-3-[1-(4-chlorophenyl)cyclopropyl]urea
CID 113215529
2-[1-[(2,5-dimethylphenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845476
1-(2-bromo-4-methylphenyl)-3-(2,4-dimethylphenyl)urea
CID 108991303
1-(2-bromo-4-methylphenyl)-3-(3,5-dimethylphenyl)urea
CID 108991373
N,N'-bis(2-bromo-4-methylphenyl)butanediamide
CID 1039655
(2S)-2-[(2-bromo-4-methylphenyl)carbamoylamino]pentanoic acid
CID 107565893
3-[(2-bromo-4-methylphenyl)carbamoylamino]-3-methylbutanoic acid
CID 64700627
2-fluoro-N-[1-(hydroxymethyl)cyclopentyl]-5-methylbenzamide
CID 62519508
2-[(2-bromo-4-methylphenyl)carbamoylamino]pentanedioic acid
CID 61182556
2-[(2-bromo-4-methylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 64815711

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
The IUPAC name of 1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea (CID 111925840) is 1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea.
What is the SMILES notation for 1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
The canonical SMILES for 1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea is Cc1ccc(NC(=O)NC2(CO)CCCC2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
The InChIKey is KTMVIBYHMBWQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-10-4-5-12(11(15)8-10)16-13(19)17-14(9-18)6-2-3-7-14/h4-5,8,18H,2-3,6-7,9H2,1H3,(H2,16,17,19).
What are the key properties of 1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea?
1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea has a molecular weight of 327.22 g/mol, XLogP of 3.18, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea is sourced from PubChem (CID 111925840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).