1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea

C18H19ClN2O3 — CID 99703684

IUPAC1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
SMILESCC(=O)c1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)cc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-12(23)16-8-7-14(10-17(16)19)20-18(24)21-15(11-22)9-13-5-3-2-4-6-13/h2-8,10,15,22H,9,11H2,1H3,(H2,20,21,24)/t15-/m0/s1
InChIKeyFTEGEOFNLPNWBW-HNNXBMFYSA-N
MW346.81 g/mol
LogP3.27
Rot. Bonds6

About 1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea

1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea (PubChem CID 99703684) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
PubChem CID99703684
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
SMILESCC(=O)c1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)cc1Cl
InChIInChI=1S/C18H19ClN2O3/c1-12(23)16-8-7-14(10-17(16)19)20-18(24)21-15(11-22)9-13-5-3-2-4-6-13/h2-8,10,15,22H,9,11H2,1H3,(H2,20,21,24)/t15-/m0/s1
InChIKeyFTEGEOFNLPNWBW-HNNXBMFYSA-N
XLogP3.27
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]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-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 97063566
4-[(4-acetyl-3-methylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122088165
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
CID 70681396
2-chloro-N-[(2S)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 42364147
methyl (2R)-2-[(3,4-dichlorophenyl)carbamoylamino]-3-phenylpropanoate
CID 6588185
1-(3-cyano-4-fluorophenyl)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 95980553
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea
CID 70689793
4-[(4-chloro-3-methoxyphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122092058
1-[2-chloro-4-(2-phenylpropylamino)phenyl]ethanone
CID 20716181
3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]pyridine-4-carboxamide
CID 107861114
2-[(3-chloro-4-fluorophenyl)carbamoylamino]-3-phenylpropanoic acid
CID 4551289

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The IUPAC name of 1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea (CID 99703684) is 1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea.
What is the SMILES notation for 1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The canonical SMILES for 1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea is CC(=O)c1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)cc1Cl.
What is the InChIKey of 1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The InChIKey is FTEGEOFNLPNWBW-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(23)16-8-7-14(10-17(16)19)20-18(24)21-15(11-22)9-13-5-3-2-4-6-13/h2-8,10,15,22H,9,11H2,1H3,(H2,20,21,24)/t15-/m0/s1.
What are the key properties of 1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea has a molecular weight of 346.81 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 99703684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).