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

C17H17ClN2O3 — CID 42960513

IUPAC1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCC(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O3/c1-11(21)12-5-7-15(8-6-12)20-17(23)19-10-16(22)13-3-2-4-14(18)9-13/h2-9,16,22H,10H2,1H3,(H2,19,20,23)
InChIKeyANHGBFAUWZXTFV-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.40
Rot. Bonds5

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

1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea (PubChem CID 42960513) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea
PubChem CID42960513
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea
SMILESCC(=O)c1ccc(NC(=O)NCC(O)c2cccc(Cl)c2)cc1
InChIInChI=1S/C17H17ClN2O3/c1-11(21)12-5-7-15(8-6-12)20-17(23)19-10-16(22)13-3-2-4-14(18)9-13/h2-9,16,22H,10H2,1H3,(H2,19,20,23)
InChIKeyANHGBFAUWZXTFV-UHFFFAOYSA-N
XLogP3.40
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-fluorophenyl)urea
CID 42960515
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(4-cyanophenyl)urea
CID 38282945
1-(3-chloro-4-fluorophenyl)-3-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 51944513
1-(3-chloro-4-cyanophenyl)-3-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 51945011
1-[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-[4-(difluoromethoxy)phenyl]urea
CID 51944880
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea
CID 51944524
1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 38283937
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,4-dichlorophenyl)urea
CID 51944288
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(2,5-dimethylphenyl)urea
CID 51943967
1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea
CID 66175411
3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66166879

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea?
The IUPAC name of 1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea (CID 42960513) is 1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea is CC(=O)c1ccc(NC(=O)NCC(O)c2cccc(Cl)c2)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea?
The InChIKey is ANHGBFAUWZXTFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c1-11(21)12-5-7-15(8-6-12)20-17(23)19-10-16(22)13-3-2-4-14(18)9-13/h2-9,16,22H,10H2,1H3,(H2,19,20,23).
What are the key properties of 1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea?
1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea has a molecular weight of 332.79 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea is sourced from PubChem (CID 42960513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).