N-(4-acetyl-3-chloro-5-methylphenyl)acetamide;1-(4-amino-2-chloro-6-methylphenyl)ethanone

C20H22Cl2N2O3 — CID 158053967

IUPACN-(4-acetyl-3-chloro-5-methylphenyl)acetamide;1-(4-amino-2-chloro-6-methylphenyl)ethanone
SMILESCC(=O)Nc1cc(C)c(C(C)=O)c(Cl)c1.CC(=O)c1c(C)cc(N)cc1Cl
InChIInChI=1S/C11H12ClNO2.C9H10ClNO/c1-6-4-9(13-8(3)15)5-10(12)11(6)7(2)14;1-5-3-7(11)4-8(10)9(5)6(2)12/h4-5H,1-3H3,(H,13,15);3-4H,11H2,1-2H3
InChIKeyFJUWVQYBAUAOLI-UHFFFAOYSA-N
MW409.31 g/mol
LogP5.24
Rot. Bonds3

About N-(4-acetyl-3-chloro-5-methylphenyl)acetamide;1-(4-amino-2-chloro-6-methylphenyl)ethanone

N-(4-acetyl-3-chloro-5-methylphenyl)acetamide;1-(4-amino-2-chloro-6-methylphenyl)ethanone (PubChem CID 158053967) has the molecular formula C20H22Cl2N2O3 and a molecular weight of 409.31 g/mol. Its IUPAC name is N-(4-acetyl-3-chloro-5-methylphenyl)acetamide;1-(4-amino-2-chloro-6-methylphenyl)ethanone.

Molecular Properties

Compound NameN-(4-acetyl-3-chloro-5-methylphenyl)acetamide;1-(4-amino-2-chloro-6-methylphenyl)ethanone
PubChem CID158053967
Molecular FormulaC20H22Cl2N2O3
Molecular Weight409.31 g/mol
Exact Mass408.10
IUPAC NameN-(4-acetyl-3-chloro-5-methylphenyl)acetamide;1-(4-amino-2-chloro-6-methylphenyl)ethanone
SMILESCC(=O)Nc1cc(C)c(C(C)=O)c(Cl)c1.CC(=O)c1c(C)cc(N)cc1Cl
InChIInChI=1S/C11H12ClNO2.C9H10ClNO/c1-6-4-9(13-8(3)15)5-10(12)11(6)7(2)14;1-5-3-7(11)4-8(10)9(5)6(2)12/h4-5H,1-3H3,(H,13,15);3-4H,11H2,1-2H3
InChIKeyFJUWVQYBAUAOLI-UHFFFAOYSA-N
XLogP5.24
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.31
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-5-chloro-4-hydroxyphenyl)acetamide
CID 70464969
N-(3,5-dichloro-4-iodophenyl)acetamide
CID 156599788
N-(4-acetyl-3,5-dimethylphenyl)acetamide;N-[4-(2-bromoacetyl)-3,5-dimethylphenyl]acetamide
CID 158943611
2-acetyl-5-amino-3-chlorobenzonitrile
CID 171018416
N-(4-acetamido-2-chloro-6-methylphenyl)-N-methylcarbamate
CID 23161300
1-[2-chloro-4-(difluoromethyl)-6-methylphenyl]ethanone
CID 171005887
1-(4-amino-2-chloro-6-nitrophenyl)ethanone
CID 131333468
5-acetamido-2-amino-3-chlorobenzenesulfonic acid
CID 101429249
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
1-(5-amino-3-chloro-2-methylphenyl)ethanone
CID 131271311
1-(4-amino-2,6-dimethylphenyl)-3-(3,5-dichlorophenyl)urea
CID 107653033
N-(4-amino-2-chloro-6-fluorophenyl)acetamide
CID 2779532

Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-3-chloro-5-methylphenyl)acetamide;1-(4-amino-2-chloro-6-methylphenyl)ethanone?
The IUPAC name of N-(4-acetyl-3-chloro-5-methylphenyl)acetamide;1-(4-amino-2-chloro-6-methylphenyl)ethanone (CID 158053967) is N-(4-acetyl-3-chloro-5-methylphenyl)acetamide;1-(4-amino-2-chloro-6-methylphenyl)ethanone.
What is the SMILES notation for N-(4-acetyl-3-chloro-5-methylphenyl)acetamide;1-(4-amino-2-chloro-6-methylphenyl)ethanone?
The canonical SMILES for N-(4-acetyl-3-chloro-5-methylphenyl)acetamide;1-(4-amino-2-chloro-6-methylphenyl)ethanone is CC(=O)Nc1cc(C)c(C(C)=O)c(Cl)c1.CC(=O)c1c(C)cc(N)cc1Cl.
What is the InChIKey of N-(4-acetyl-3-chloro-5-methylphenyl)acetamide;1-(4-amino-2-chloro-6-methylphenyl)ethanone?
The InChIKey is FJUWVQYBAUAOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2.C9H10ClNO/c1-6-4-9(13-8(3)15)5-10(12)11(6)7(2)14;1-5-3-7(11)4-8(10)9(5)6(2)12/h4-5H,1-3H3,(H,13,15);3-4H,11H2,1-2H3.
What are the key properties of N-(4-acetyl-3-chloro-5-methylphenyl)acetamide;1-(4-amino-2-chloro-6-methylphenyl)ethanone?
N-(4-acetyl-3-chloro-5-methylphenyl)acetamide;1-(4-amino-2-chloro-6-methylphenyl)ethanone has a molecular weight of 409.31 g/mol, XLogP of 5.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-3-chloro-5-methylphenyl)acetamide;1-(4-amino-2-chloro-6-methylphenyl)ethanone is sourced from PubChem (CID 158053967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).