1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea

C17H19ClN2O2 — CID 56765325

IUPAC1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
SMILESO=C(NCc1ccc(Cl)cc1)NCC(O)Cc1ccccc1
InChIInChI=1S/C17H19ClN2O2/c18-15-8-6-14(7-9-15)11-19-17(22)20-12-16(21)10-13-4-2-1-3-5-13/h1-9,16,21H,10-12H2,(H2,19,20,22)
InChIKeyRKXLFXIFCZDILR-UHFFFAOYSA-N
MW318.80 g/mol
LogP2.74
Rot. Bonds6

About 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea

1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea (PubChem CID 56765325) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
PubChem CID56765325
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea
SMILESO=C(NCc1ccc(Cl)cc1)NCC(O)Cc1ccccc1
InChIInChI=1S/C17H19ClN2O2/c18-15-8-6-14(7-9-15)11-19-17(22)20-12-16(21)10-13-4-2-1-3-5-13/h1-9,16,21H,10-12H2,(H2,19,20,22)
InChIKeyRKXLFXIFCZDILR-UHFFFAOYSA-N
XLogP2.74
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 52.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)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-[(1R)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea
CID 127044774
2-(Benzylamino)-1-(4-chlorophenyl)ethanol
CID 236808
1-[(1S)-2-hydroxy-1-phenylethyl]-3-(3-phenylpropyl)urea
CID 127045081
1-Propanol, 2-((p-chlorobenzyl)amino)-3-phenyl-
CID 205354
3-(2-Cyclohexyl-2-hydroxyethyl)-1-[(4-fluorophenyl)methyl]urea
CID 56764368
N-[(4-chlorophenyl)methyl]-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide
CID 71783428
1-[2-(4-Chloro-3-fluorophenyl)-2-hydroxyethyl]-3-cyclopent-3-en-1-ylurea
CID 75435604
1-(4-Chlorobenzyl)-3-(3-hydroxy-4,4-dimethylpentyl)urea
CID 71787653
(S)-2-Allyl-N4-(4-chlorobenzyl)-N1-((R)-2-hydroxy-2-phenylethyl)succinamide
CID 25109991
2-[(4-Chlorobenzyl)amino]-1-phenylpropan-1-ol
CID 2997423
(3S,4S)-N-[(4-chlorophenyl)methyl]-3,4-dihydroxypiperidine-1-carboxamide
CID 56909428
N-(4-chlorobenzyl)-4-(2-cyclopropyl-2-hydroxyethyl)piperazine-1-carboxamide hydrochloride
CID 71783427

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea (CID 56765325) is 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea is O=C(NCc1ccc(Cl)cc1)NCC(O)Cc1ccccc1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea?
The InChIKey is RKXLFXIFCZDILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c18-15-8-6-14(7-9-15)11-19-17(22)20-12-16(21)10-13-4-2-1-3-5-13/h1-9,16,21H,10-12H2,(H2,19,20,22).
What are the key properties of 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea?
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea has a molecular weight of 318.80 g/mol, XLogP of 2.74, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-3-phenylpropyl)urea is sourced from PubChem (CID 56765325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).