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

C18H19ClN2O2 — CID 70850877

IUPAC1-[2-(3-acetylphenyl)propan-2-yl]-3-(4-chlorophenyl)urea
SMILESCC(=O)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O2/c1-12(22)13-5-4-6-14(11-13)18(2,3)21-17(23)20-16-9-7-15(19)8-10-16/h4-11H,1-3H3,(H2,20,21,23)
InChIKeyPFCWNBTUBOOYDC-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.60
Rot. Bonds4

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

1-[2-(3-acetylphenyl)propan-2-yl]-3-(4-chlorophenyl)urea (PubChem CID 70850877) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is 1-[2-(3-acetylphenyl)propan-2-yl]-3-(4-chlorophenyl)urea.

Molecular Properties

Compound Name1-[2-(3-acetylphenyl)propan-2-yl]-3-(4-chlorophenyl)urea
PubChem CID70850877
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC Name1-[2-(3-acetylphenyl)propan-2-yl]-3-(4-chlorophenyl)urea
SMILESCC(=O)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H19ClN2O2/c1-12(22)13-5-4-6-14(11-13)18(2,3)21-17(23)20-16-9-7-15(19)8-10-16/h4-11H,1-3H3,(H2,20,21,23)
InChIKeyPFCWNBTUBOOYDC-UHFFFAOYSA-N
XLogP4.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Diflubenzuron
CID 37123
N-(4-Acetylphenyl)-N'-(3-chlorophenyl)urea
CID 734393
4-(4-acetylphenyl)-N-(4-chlorophenyl)piperazine-1-carboxamide
CID 4150876
N-(4-Chlorophenyl)-3-oxo-3-phenylpropanamide
CID 570768
N-(4-chlorophenyl)-N'-(2,4-difluorobenzoyl)urea
CID 2823829
2-Chloro-N,N-Dimethyl-5-[({2-[3-(Prop-1-En-2-Yl)phenyl]propan-2-Yl}carbamoyl)amino]benzamide
CID 71450059
2-Chloro-5-{[(2-{3-[(1e)-N-Hydroxyethanimidoyl]phenyl}propan-2-Yl)carbamoyl]amino}benzamide
CID 71460873
N-(4-acetylphenyl)-N'-phenylurea
CID 682184
4'-Chloro-M-toluanilide
CID 763862
1-(4-Acetylphenyl)-3-(4-chlorophenyl)urea
CID 721943
N-(4-acetylphenyl)-N'-[1-(3-isopropenylphenyl)-1-methylethyl]urea
CID 883336
1-(4-Chlorophenyl)-3-[1-(3-isopropenylphenyl)-1-methyl-ethyl]urea
CID 19168353

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-acetylphenyl)propan-2-yl]-3-(4-chlorophenyl)urea?
The IUPAC name of 1-[2-(3-acetylphenyl)propan-2-yl]-3-(4-chlorophenyl)urea (CID 70850877) is 1-[2-(3-acetylphenyl)propan-2-yl]-3-(4-chlorophenyl)urea.
What is the SMILES notation for 1-[2-(3-acetylphenyl)propan-2-yl]-3-(4-chlorophenyl)urea?
The canonical SMILES for 1-[2-(3-acetylphenyl)propan-2-yl]-3-(4-chlorophenyl)urea is CC(=O)c1cccc(C(C)(C)NC(=O)Nc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-[2-(3-acetylphenyl)propan-2-yl]-3-(4-chlorophenyl)urea?
The InChIKey is PFCWNBTUBOOYDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-12(22)13-5-4-6-14(11-13)18(2,3)21-17(23)20-16-9-7-15(19)8-10-16/h4-11H,1-3H3,(H2,20,21,23).
What are the key properties of 1-[2-(3-acetylphenyl)propan-2-yl]-3-(4-chlorophenyl)urea?
1-[2-(3-acetylphenyl)propan-2-yl]-3-(4-chlorophenyl)urea has a molecular weight of 330.82 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-acetylphenyl)propan-2-yl]-3-(4-chlorophenyl)urea is sourced from PubChem (CID 70850877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).