N-[(5-acetyl-2-chlorophenyl)methyl]acetamide

C11H12ClNO2 — CID 11858678

IUPACN-[(5-acetyl-2-chlorophenyl)methyl]acetamide
SMILESCC(=O)NCc1cc(C(C)=O)ccc1Cl
InChIInChI=1S/C11H12ClNO2/c1-7(14)9-3-4-11(12)10(5-9)6-13-8(2)15/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyMJMIGDBUTJOMJE-UHFFFAOYSA-N
MW225.67 g/mol
LogP2.18
Rot. Bonds3

About N-[(5-acetyl-2-chlorophenyl)methyl]acetamide

N-[(5-acetyl-2-chlorophenyl)methyl]acetamide (PubChem CID 11858678) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is N-[(5-acetyl-2-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-acetyl-2-chlorophenyl)methyl]acetamide
PubChem CID11858678
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC NameN-[(5-acetyl-2-chlorophenyl)methyl]acetamide
SMILESCC(=O)NCc1cc(C(C)=O)ccc1Cl
InChIInChI=1S/C11H12ClNO2/c1-7(14)9-3-4-11(12)10(5-9)6-13-8(2)15/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyMJMIGDBUTJOMJE-UHFFFAOYSA-N
XLogP2.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-chloro-3-(hydroxymethyl)phenyl]methyl]acetamide
CID 67148459
N-[(5-acetyl-2-chlorophenyl)methyl]-N-methylacetamide
CID 66789788
N-[[2-chloro-5-(5-cyclopropyl-1,2-oxazole-4-carbonyl)phenyl]methyl]acetamide
CID 21057633
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
N-[(4-amino-2-chlorophenyl)methyl]acetamide
CID 142080080
4-(acetamidomethyl)-N-(3,4-dichlorophenyl)benzamide
CID 18194972
(5-acetyl-2-chlorophenyl)methyl N-tert-butylcarbamate
CID 175282842
2-(4-acetyl-2-chlorophenyl)acetic acid
CID 23106770
1-(4-chloro-3-methylphenyl)ethanone;ethane
CID 143383173
2-(4-acetylphenoxy)-N-[(2-chlorophenyl)methyl]propanamide
CID 17399319
5-[[4-(acetamidomethyl)benzoyl]amino]-2-chlorobenzoic acid
CID 39164495

Frequently Asked Questions

What is the IUPAC name of N-[(5-acetyl-2-chlorophenyl)methyl]acetamide?
The IUPAC name of N-[(5-acetyl-2-chlorophenyl)methyl]acetamide (CID 11858678) is N-[(5-acetyl-2-chlorophenyl)methyl]acetamide.
What is the SMILES notation for N-[(5-acetyl-2-chlorophenyl)methyl]acetamide?
The canonical SMILES for N-[(5-acetyl-2-chlorophenyl)methyl]acetamide is CC(=O)NCc1cc(C(C)=O)ccc1Cl.
What is the InChIKey of N-[(5-acetyl-2-chlorophenyl)methyl]acetamide?
The InChIKey is MJMIGDBUTJOMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-7(14)9-3-4-11(12)10(5-9)6-13-8(2)15/h3-5H,6H2,1-2H3,(H,13,15).
What are the key properties of N-[(5-acetyl-2-chlorophenyl)methyl]acetamide?
N-[(5-acetyl-2-chlorophenyl)methyl]acetamide has a molecular weight of 225.67 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetyl-2-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 11858678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).