1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea

C13H16ClN3O2 — CID 2805571

IUPAC1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCCCNC1=O
InChIInChI=1S/C13H16ClN3O2/c14-9-4-6-10(7-5-9)16-13(19)17-11-3-1-2-8-15-12(11)18/h4-7,11H,1-3,8H2,(H,15,18)(H2,16,17,19)
InChIKeyKGIGQKCLQJAGTK-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.13
Rot. Bonds2

About 1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea

1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea (PubChem CID 2805571) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea
PubChem CID2805571
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea
SMILESO=C(Nc1ccc(Cl)cc1)NC1CCCCNC1=O
InChIInChI=1S/C13H16ClN3O2/c14-9-4-6-10(7-5-9)16-13(19)17-11-3-1-2-8-15-12(11)18/h4-7,11H,1-3,8H2,(H,15,18)(H2,16,17,19)
InChIKeyKGIGQKCLQJAGTK-UHFFFAOYSA-N
XLogP2.13
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)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

1-[2-methyl-5-[[(3R)-2-oxoazepan-3-yl]carbamoylamino]phenyl]-3-[(3S)-2-oxoazepan-3-yl]urea
CID 51961629
4-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 3531239
1-(4-chlorophenyl)-3-cyclododecylurea
CID 19165021
2-bromo-4-chloro-N-(2-oxoazepan-3-yl)benzamide
CID 113257291
1-(4-chlorophenyl)-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 40784836
(2-oxoazepan-3-yl)carbamic acid
CID 18612606
1-[1-[(4-chlorophenyl)methyl]-4-methylpyrazol-5-yl]-3-(2-oxopiperidin-3-yl)urea
CID 118765235
ethyl 3-[(2-oxoazepan-3-yl)carbamoylamino]benzoate
CID 54104528
methyl 2-chloro-5-[(2-oxopyrrolidin-3-yl)carbamoylamino]benzoate
CID 118788746
1-(4-chlorophenyl)-3-piperidin-4-ylurea;hydrochloride
CID 53255615
2-(4-chlorophenyl)-N-[(3S)-2-oxoazepan-3-yl]-1,3-thiazole-4-carboxamide
CID 51943430
1-(4-chlorophenyl)-3-[3-[(4-chlorophenyl)carbamoylamino]cyclohexyl]urea
CID 11026212

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea?
The IUPAC name of 1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea (CID 2805571) is 1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea is O=C(Nc1ccc(Cl)cc1)NC1CCCCNC1=O.
What is the InChIKey of 1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea?
The InChIKey is KGIGQKCLQJAGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c14-9-4-6-10(7-5-9)16-13(19)17-11-3-1-2-8-15-12(11)18/h4-7,11H,1-3,8H2,(H,15,18)(H2,16,17,19).
What are the key properties of 1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea?
1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea has a molecular weight of 281.74 g/mol, XLogP of 2.13, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(2-oxoazepan-3-yl)urea is sourced from PubChem (CID 2805571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).