1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea

C16H18ClN3O — CID 131851120

IUPAC1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea
SMILESN[C@@H](CNC(=O)Nc1cccc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C16H18ClN3O/c17-13-7-4-8-15(10-13)20-16(21)19-11-14(18)9-12-5-2-1-3-6-12/h1-8,10,14H,9,11,18H2,(H2,19,20,21)/t14-/m1/s1
InChIKeyILTOZHQGHRFCPH-CQSZACIVSA-N
MW303.79 g/mol
LogP3.03
Rot. Bonds5

About 1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea

1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea (PubChem CID 131851120) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is 1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea
PubChem CID131851120
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea
SMILESN[C@@H](CNC(=O)Nc1cccc(Cl)c1)Cc1ccccc1
InChIInChI=1S/C16H18ClN3O/c17-13-7-4-8-15(10-13)20-16(21)19-11-14(18)9-12-5-2-1-3-6-12/h1-8,10,14H,9,11,18H2,(H2,19,20,21)/t14-/m1/s1
InChIKeyILTOZHQGHRFCPH-CQSZACIVSA-N
XLogP3.03
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(2R)-2-amino-3-phenylpropyl]-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

(2S)-N-(3-chlorophenyl)-2-methyl-3-phenylpropanamide
CID 56610654
prop-2-enyl (2R)-2-[(3-chlorophenyl)carbamoylamino]-3-phenylpropanoate
CID 40626177
1-(3-chlorophenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 110888491
2-[(3-chlorophenyl)carbamoylamino]-N-cyclopropyl-3-phenylpropanamide
CID 47093307
1-(3-chlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312020
1-(3-chlorophenyl)-3-[3-(hydroxymethyl)phenyl]urea
CID 60676894
1-(3-chlorophenyl)-3-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]urea
CID 24528854
1-(3-chlorophenyl)-3-[(2-chlorophenyl)methyl]urea
CID 727865
1-[(3-bromophenyl)methyl]-3-(3-chlorophenyl)urea
CID 60969136
N-[(2S)-1-[[(2R)-2-amino-3-phenylpropyl]amino]-1-oxo-3-phenylpropan-2-yl]-2,4-dichlorobenzamide
CID 44572425
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942
1-(3-chlorophenyl)-3-[2-(4-chlorophenyl)-2-oxoethyl]urea
CID 4789489

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea?
The IUPAC name of 1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea (CID 131851120) is 1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea.
What is the SMILES notation for 1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea?
The canonical SMILES for 1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea is N[C@@H](CNC(=O)Nc1cccc(Cl)c1)Cc1ccccc1.
What is the InChIKey of 1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea?
The InChIKey is ILTOZHQGHRFCPH-CQSZACIVSA-N. The full InChI is InChI=1S/C16H18ClN3O/c17-13-7-4-8-15(10-13)20-16(21)19-11-14(18)9-12-5-2-1-3-6-12/h1-8,10,14H,9,11,18H2,(H2,19,20,21)/t14-/m1/s1.
What are the key properties of 1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea?
1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea has a molecular weight of 303.79 g/mol, XLogP of 3.03, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-amino-3-phenylpropyl]-3-(3-chlorophenyl)urea is sourced from PubChem (CID 131851120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).