3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea

C15H20ClFN2O2 — CID 72915964

IUPAC3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea
SMILESCN(CC1(CO)CCCC1)C(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C15H20ClFN2O2/c1-19(9-15(10-20)7-2-3-8-15)14(21)18-12-6-4-5-11(16)13(12)17/h4-6,20H,2-3,7-10H2,1H3,(H,18,21)
InChIKeyWOOUKRQFXAVBSV-UHFFFAOYSA-N
MW314.79 g/mol
LogP3.50
Rot. Bonds4

About 3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea

3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea (PubChem CID 72915964) has the molecular formula C15H20ClFN2O2 and a molecular weight of 314.79 g/mol. Its IUPAC name is 3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea.

Molecular Properties

Compound Name3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea
PubChem CID72915964
Molecular FormulaC15H20ClFN2O2
Molecular Weight314.79 g/mol
Exact Mass314.12
IUPAC Name3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea
SMILESCN(CC1(CO)CCCC1)C(=O)Nc1cccc(Cl)c1F
InChIInChI=1S/C15H20ClFN2O2/c1-19(9-15(10-20)7-2-3-8-15)14(21)18-12-6-4-5-11(16)13(12)17/h4-6,20H,2-3,7-10H2,1H3,(H,18,21)
InChIKeyWOOUKRQFXAVBSV-UHFFFAOYSA-N
XLogP3.50
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.79
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea 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-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid
CID 43135927
3-(2-chloro-5-methylphenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea
CID 72928250
3-(3-chloro-2-fluorophenyl)-1-(1,4-dioxan-2-ylmethyl)-1-methylurea
CID 72903387
2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62820934
3-chloro-4-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-N-methylbenzamide
CID 91768563
2-[(3-chloro-2-fluorophenyl)carbamoyl-cyclopropylamino]acetic acid
CID 54978717
1-(aminomethyl)-N-(3-chloro-2-fluorophenyl)cycloheptane-1-carboxamide
CID 115443760
2-chloro-6-[[cyclopropylmethyl(methyl)carbamoyl]amino]benzoic acid
CID 63724321
[1-[(3-chloro-2-fluorophenyl)methyl]cyclopentyl]methanol
CID 102863615
1-[[1-(hydroxymethyl)cyclobutyl]methyl]-3-(2-methoxy-5-phenylphenyl)-1-methylurea
CID 72940316
2-[1-[(3-chloro-2-fluorophenyl)carbamoylamino]cyclobutyl]acetic acid
CID 79845572
[1-[(3-chloro-2-fluorophenyl)methyl]cyclohexyl]methanol
CID 102863614

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea?
The IUPAC name of 3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea (CID 72915964) is 3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea.
What is the SMILES notation for 3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea?
The canonical SMILES for 3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea is CN(CC1(CO)CCCC1)C(=O)Nc1cccc(Cl)c1F.
What is the InChIKey of 3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea?
The InChIKey is WOOUKRQFXAVBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O2/c1-19(9-15(10-20)7-2-3-8-15)14(21)18-12-6-4-5-11(16)13(12)17/h4-6,20H,2-3,7-10H2,1H3,(H,18,21).
What are the key properties of 3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea?
3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea has a molecular weight of 314.79 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-2-fluorophenyl)-1-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylurea is sourced from PubChem (CID 72915964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).