N-acetyl-N-(2-chloro-4-methylphenyl)acetamide

C11H12ClNO2 — CID 91717451

IUPACN-acetyl-N-(2-chloro-4-methylphenyl)acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(C)cc1Cl
InChIInChI=1S/C11H12ClNO2/c1-7-4-5-11(10(12)6-7)13(8(2)14)9(3)15/h4-6H,1-3H3
InChIKeyVNYHCBVBVVCJOW-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.55
Rot. Bonds1

About N-acetyl-N-(2-chloro-4-methylphenyl)acetamide

N-acetyl-N-(2-chloro-4-methylphenyl)acetamide (PubChem CID 91717451) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is N-acetyl-N-(2-chloro-4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-acetyl-N-(2-chloro-4-methylphenyl)acetamide
PubChem CID91717451
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC NameN-acetyl-N-(2-chloro-4-methylphenyl)acetamide
SMILESCC(=O)N(C(C)=O)c1ccc(C)cc1Cl
InChIInChI=1S/C11H12ClNO2/c1-7-4-5-11(10(12)6-7)13(8(2)14)9(3)15/h4-6H,1-3H3
InChIKeyVNYHCBVBVVCJOW-UHFFFAOYSA-N
XLogP2.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chloro-4-methylphenyl)-1,3,3-trimethylurea
CID 154159072
2-chloro-N,N,4-trimethylaniline
CID 4099980
[bis(sulfanyl)amino]-(2-chloro-4-methylphenyl)carbamic acid
CID 57161016
2-chloro-4-methyl-N,N-bis(trideuteriomethyl)aniline
CID 155292063
N-acetyl-N-(2-chloro-5-hydroxyphenyl)acetamide
CID 67933790
1-(2-chloro-4-methylphenyl)-3-methylbut-3-en-2-one
CID 106867179
2-chloro-4-methyl-N,N-dipropylaniline
CID 142078199
N-(2-chloro-4-methylphenyl)-N-[(Z)-(3-oxo-1-benzothiophen-2-ylidene)methyl]acetamide
CID 122632330
butan-2-one;2-chloro-1-fluoro-4-methylbenzene
CID 144845866
3-(N-acetyl-2,4-dimethylanilino)-N-(2-chloro-4,6-dimethylphenyl)propanamide
CID 113124231
1-(2-chloro-5-methylphenyl)propan-2-one
CID 58483794
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(2-chloro-4-methylphenyl)acetamide?
The IUPAC name of N-acetyl-N-(2-chloro-4-methylphenyl)acetamide (CID 91717451) is N-acetyl-N-(2-chloro-4-methylphenyl)acetamide.
What is the SMILES notation for N-acetyl-N-(2-chloro-4-methylphenyl)acetamide?
The canonical SMILES for N-acetyl-N-(2-chloro-4-methylphenyl)acetamide is CC(=O)N(C(C)=O)c1ccc(C)cc1Cl.
What is the InChIKey of N-acetyl-N-(2-chloro-4-methylphenyl)acetamide?
The InChIKey is VNYHCBVBVVCJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-7-4-5-11(10(12)6-7)13(8(2)14)9(3)15/h4-6H,1-3H3.
What are the key properties of N-acetyl-N-(2-chloro-4-methylphenyl)acetamide?
N-acetyl-N-(2-chloro-4-methylphenyl)acetamide has a molecular weight of 225.68 g/mol, XLogP of 2.55, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(2-chloro-4-methylphenyl)acetamide is sourced from PubChem (CID 91717451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).