1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea

C16H18ClN3O — CID 61340890

IUPAC1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea
SMILESCC(N)c1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClN3O/c1-11(18)13-4-8-15(9-5-13)20-16(21)19-10-12-2-6-14(17)7-3-12/h2-9,11H,10,18H2,1H3,(H2,19,20,21)
InChIKeyWNPJAECDKNLBBN-UHFFFAOYSA-N
MW303.79 g/mol
LogP3.68
Rot. Bonds4

About 1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea

1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea (PubChem CID 61340890) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea.

Molecular Properties

Compound Name1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea
PubChem CID61340890
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea
SMILESCC(N)c1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H18ClN3O/c1-11(18)13-4-8-15(9-5-13)20-16(21)19-10-12-2-6-14(17)7-3-12/h2-9,11H,10,18H2,1H3,(H2,19,20,21)
InChIKeyWNPJAECDKNLBBN-UHFFFAOYSA-N
XLogP3.68
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]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-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
1-[4-(1-aminoethyl)phenyl]-3-(4-chlorophenyl)urea
CID 61342206
1-[(4-chlorophenyl)methyl]-3-[4-[(1S)-1-methylsulfanylethyl]phenyl]urea
CID 166706416
1-[4-[(1S)-1-aminoethyl]phenyl]-3-[(4-methoxyphenyl)methyl]urea
CID 156824997
1-[(4-chlorophenyl)methyl]-3-(4-methylphenyl)urea
CID 2982210
1-[4-(aminomethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea;hydrochloride
CID 166173336
1-(4-tert-butylphenyl)-3-[(4-chlorophenyl)methyl]urea
CID 108884751
1-[(4-bromophenyl)methyl]-3-(4-chlorophenyl)urea
CID 60968991
1-[(4-bromophenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 108899366
1-[4-(1-aminoethyl)phenyl]-3-[(3-bromophenyl)methyl]urea
CID 61414360
N-[(1S)-1-[4-[(4-chlorophenyl)methylcarbamoylamino]phenyl]ethyl]cyclobutanecarboxamide
CID 166706387
1-[(4-chlorophenyl)methyl]-3-[4-[(1R)-1-(2-methylimidazol-1-yl)ethyl]phenyl]urea
CID 171801414

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea?
The IUPAC name of 1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea (CID 61340890) is 1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea.
What is the SMILES notation for 1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea?
The canonical SMILES for 1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea is CC(N)c1ccc(NC(=O)NCc2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea?
The InChIKey is WNPJAECDKNLBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11(18)13-4-8-15(9-5-13)20-16(21)19-10-12-2-6-14(17)7-3-12/h2-9,11H,10,18H2,1H3,(H2,19,20,21).
What are the key properties of 1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea?
1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea has a molecular weight of 303.79 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-aminoethyl)phenyl]-3-[(4-chlorophenyl)methyl]urea is sourced from PubChem (CID 61340890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).