3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea

C16H18ClN3O — CID 62985968

IUPAC3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C16H18ClN3O/c1-11(12-5-3-6-13(17)9-12)20(2)16(21)19-15-8-4-7-14(18)10-15/h3-11H,18H2,1-2H3,(H,19,21)
InChIKeyDAPMSCDMXXZNSH-UHFFFAOYSA-N
MW303.79 g/mol
LogP4.15
Rot. Bonds3

About 3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea

3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea (PubChem CID 62985968) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea.

Molecular Properties

Compound Name3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea
PubChem CID62985968
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea
SMILESCC(c1cccc(Cl)c1)N(C)C(=O)Nc1cccc(N)c1
InChIInChI=1S/C16H18ClN3O/c1-11(12-5-3-6-13(17)9-12)20(2)16(21)19-15-8-4-7-14(18)10-15/h3-11H,18H2,1-2H3,(H,19,21)
InChIKeyDAPMSCDMXXZNSH-UHFFFAOYSA-N
XLogP4.15
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-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

1-[1-(3-chlorophenyl)ethyl]-3-cyclopropyl-1-methylurea
CID 47306886
4-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylpyridine-2-carboxamide
CID 62978573
(2S)-2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 93469731
methyl N-[1-(3-aminophenyl)ethyl]-N-methylcarbamate
CID 43551139
(2R)-2-amino-N-[1-(3-chlorophenyl)ethyl]-N-methyl-2-phenylacetamide
CID 61157254
1-[1-(3-chlorophenyl)ethyl]-1-methylthiourea
CID 62979523
2-amino-6-chloro-N-[1-(3-chlorophenyl)ethyl]-N-methylbenzamide
CID 63659864
1-[1-(3-chlorophenyl)ethyl]-1-methyl-3-(oxolan-3-yl)urea
CID 115759275
2-[1-(3-chlorophenyl)ethyl-methylamino]acetohydrazide
CID 63583159
3-amino-N-[1-(3-chlorophenyl)ethyl]-N-methylthiophene-2-carboxamide
CID 61139721
1-[1-(3-aminophenyl)ethyl]-3-butyl-1-methylurea
CID 43551136
(2S)-2-[[1-(3-chlorophenyl)ethyl-methylcarbamoyl]amino]pentanoic acid
CID 107566911

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea?
The IUPAC name of 3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea (CID 62985968) is 3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea.
What is the SMILES notation for 3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea?
The canonical SMILES for 3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea is CC(c1cccc(Cl)c1)N(C)C(=O)Nc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea?
The InChIKey is DAPMSCDMXXZNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11(12-5-3-6-13(17)9-12)20(2)16(21)19-15-8-4-7-14(18)10-15/h3-11H,18H2,1-2H3,(H,19,21).
What are the key properties of 3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea?
3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea has a molecular weight of 303.79 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-1-[1-(3-chlorophenyl)ethyl]-1-methylurea is sourced from PubChem (CID 62985968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).