1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea

C17H19ClN2O — CID 841933

IUPAC1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
SMILESCC[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H19ClN2O/c1-3-16(13-6-4-12(2)5-7-13)20-17(21)19-15-10-8-14(18)9-11-15/h4-11,16H,3H2,1-2H3,(H2,19,20,21)/t16-/m0/s1
InChIKeyFKBYZUDELOWDJW-INIZCTEOSA-N
MW302.81 g/mol
LogP4.92
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea

1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea (PubChem CID 841933) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
PubChem CID841933
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC Name1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
SMILESCC[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1
InChIInChI=1S/C17H19ClN2O/c1-3-16(13-6-4-12(2)5-7-13)20-17(21)19-15-10-8-14(18)9-11-15/h4-11,16H,3H2,1-2H3,(H2,19,20,21)/t16-/m0/s1
InChIKeyFKBYZUDELOWDJW-INIZCTEOSA-N
XLogP4.92
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]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-[(1S)-1-(4-methylphenyl)propyl]urea
CID 94841868
N-(4-chlorophenyl)-2-[2-[[(1R)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]sulfanylacetamide
CID 9296915
1-[1-(4-chlorophenyl)propyl]-3-(2,4-dimethylphenyl)urea
CID 17181991
4-chloro-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 841144
1-(2,3-dihydro-1H-inden-5-yl)-3-[1-(4-methylphenyl)propyl]urea
CID 17249377
1-(2,3-dihydro-1H-inden-5-yl)-3-[(1S)-1-(4-methylphenyl)propyl]urea
CID 29057320
2-(4-acetamidophenyl)-N-[(1R)-1-(4-chlorophenyl)propyl]acetamide
CID 42138957
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
(E)-3-(4-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)propyl]prop-2-enamide
CID 844531
1-[1-(4-chlorophenyl)propyl]-3-(2,3-dichlorophenyl)urea
CID 17174463
[(1S)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium
CID 8636252
[(1R)-1-(4-chlorophenyl)ethyl]-[2-[[(1S)-1-(4-methylphenyl)propyl]amino]-2-oxoethyl]azanium
CID 8636263

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea (CID 841933) is 1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea is CC[C@H](NC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea?
The InChIKey is FKBYZUDELOWDJW-INIZCTEOSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-3-16(13-6-4-12(2)5-7-13)20-17(21)19-15-10-8-14(18)9-11-15/h4-11,16H,3H2,1-2H3,(H2,19,20,21)/t16-/m0/s1.
What are the key properties of 1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea?
1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea has a molecular weight of 302.81 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(1S)-1-(4-methylphenyl)propyl]urea is sourced from PubChem (CID 841933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).