1-(3-acetylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea

C17H17ClN2O2 — CID 970639

IUPAC1-(3-acetylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2/c1-12(21)14-3-2-4-16(11-14)20-17(22)19-10-9-13-5-7-15(18)8-6-13/h2-8,11H,9-10H2,1H3,(H2,19,20,22)
InChIKeyCGCYEPPBGPPQQH-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.91
Rot. Bonds5

About 1-(3-acetylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea

1-(3-acetylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea (PubChem CID 970639) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
PubChem CID970639
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name1-(3-acetylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea
SMILESCC(=O)c1cccc(NC(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C17H17ClN2O2/c1-12(21)14-3-2-4-16(11-14)20-17(22)19-10-9-13-5-7-15(18)8-6-13/h2-8,11H,9-10H2,1H3,(H2,19,20,22)
InChIKeyCGCYEPPBGPPQQH-UHFFFAOYSA-N
XLogP3.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-Acetylphenyl)-N'-(3-chlorophenyl)urea
CID 734393
1-(4-Chlorophenyl)-3-(3,4-dimethylanilino)-1-propanone
CID 888422
1-(4-Chlorophenyl)-3-(4-ethylanilino)-1-propanone
CID 2060430
4-Chloro-M-benzotoluidide
CID 348519
Pencycuron-ketone
CID 139595074
2-Chloro-N,N-Dimethyl-5-[({2-[3-(Prop-1-En-2-Yl)phenyl]propan-2-Yl}carbamoyl)amino]benzamide
CID 71450059
3-[(4-chlorobenzoyl)amino]-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 155664124
4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 4150876
N-(3-Acetylphenyl)-N'-phenylurea
CID 295256
(2E)-1-(4-chlorophenyl)-3-[(3-methylphenyl)amino]prop-2-en-1-one
CID 1896997
(2S)-2-[(4-chlorophenyl)carbamoylamino]-N-[(E,3S)-6-oxo-1-phenylhept-4-en-3-yl]-3-phenylpropanamide
CID 168297674
1-(4-Chlorophenyl)-2-(2,5-dimethylanilino)ethanone
CID 788619

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea?
The IUPAC name of 1-(3-acetylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea (CID 970639) is 1-(3-acetylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea is CC(=O)c1cccc(NC(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea?
The InChIKey is CGCYEPPBGPPQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-12(21)14-3-2-4-16(11-14)20-17(22)19-10-9-13-5-7-15(18)8-6-13/h2-8,11H,9-10H2,1H3,(H2,19,20,22).
What are the key properties of 1-(3-acetylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea?
1-(3-acetylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea has a molecular weight of 316.79 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-[2-(4-chlorophenyl)ethyl]urea is sourced from PubChem (CID 970639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).