1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea

C14H14ClN3O — CID 64896037

IUPAC1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
SMILESNCc1ccccc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H14ClN3O/c15-11-5-3-6-12(8-11)17-14(19)18-13-7-2-1-4-10(13)9-16/h1-8H,9,16H2,(H2,17,18,19)
InChIKeyKDRQZADKAHLCAB-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.44
Rot. Bonds3

About 1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea

1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea (PubChem CID 64896037) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
PubChem CID64896037
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea
SMILESNCc1ccccc1NC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C14H14ClN3O/c15-11-5-3-6-12(8-11)17-14(19)18-13-7-2-1-4-10(13)9-16/h1-8H,9,16H2,(H2,17,18,19)
InChIKeyKDRQZADKAHLCAB-UHFFFAOYSA-N
XLogP3.44
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)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-(3-chlorophenyl)-3-[2-(hydroxymethyl)phenyl]urea
CID 4169533
1-[2-(aminomethyl)phenyl]-3-(2,5-dichlorophenyl)urea
CID 64895840
1-(3-chlorophenyl)-3-[2-(hydrazinecarbonyl)phenyl]urea
CID 156854116
2-[[2-[(3-chlorophenyl)carbamoylamino]phenyl]methoxy]benzamide
CID 171062561
1-[5-chloro-2-(hydroxymethyl)phenyl]-3-(3-chlorophenyl)urea
CID 156854371
ethyl 2-[(3-chlorophenyl)carbamoylamino]benzoate
CID 707725
1-[3-(aminomethyl)phenyl]-3-(2-chlorophenyl)urea
CID 63254522
1-(2-tert-butylphenyl)-3-(3-chlorophenyl)urea
CID 3408863
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-(3,5-dichlorophenyl)-3-(2-ethylphenyl)urea
CID 108991481
1-(3-chlorophenyl)-3-[1-[(2-chlorophenyl)methyl]-2-oxo-3-pyridinyl]urea
CID 52947148
1-[3-(aminomethyl)phenyl]-3-(3,5-dichlorophenyl)urea
CID 107654075

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea (CID 64896037) is 1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea is NCc1ccccc1NC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of 1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea?
The InChIKey is KDRQZADKAHLCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c15-11-5-3-6-12(8-11)17-14(19)18-13-7-2-1-4-10(13)9-16/h1-8H,9,16H2,(H2,17,18,19).
What are the key properties of 1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea?
1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea has a molecular weight of 275.74 g/mol, XLogP of 3.44, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)phenyl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 64896037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).