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

C12H14ClNO2 — CID 66789788

IUPACN-[(5-acetyl-2-chlorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)c1ccc(Cl)c(CN(C)C(C)=O)c1
InChIInChI=1S/C12H14ClNO2/c1-8(15)10-4-5-12(13)11(6-10)7-14(3)9(2)16/h4-6H,7H2,1-3H3
InChIKeyHFYMYKJAISCQKE-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.52
Rot. Bonds3

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

N-[(5-acetyl-2-chlorophenyl)methyl]-N-methylacetamide (PubChem CID 66789788) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is N-[(5-acetyl-2-chlorophenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[(5-acetyl-2-chlorophenyl)methyl]-N-methylacetamide
PubChem CID66789788
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC NameN-[(5-acetyl-2-chlorophenyl)methyl]-N-methylacetamide
SMILESCC(=O)c1ccc(Cl)c(CN(C)C(C)=O)c1
InChIInChI=1S/C12H14ClNO2/c1-8(15)10-4-5-12(13)11(6-10)7-14(3)9(2)16/h4-6H,7H2,1-3H3
InChIKeyHFYMYKJAISCQKE-UHFFFAOYSA-N
XLogP2.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-N-methylacetamide
CID 19862165
N-[(5-acetyl-2-chlorophenyl)methyl]acetamide
CID 11858678
1-(4-chloro-3-methylphenyl)ethanone;ethane
CID 143383173
2-(4-acetyl-2-methoxyphenoxy)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 26731799
2-(4-acetyl-2-chlorophenyl)acetic acid
CID 23106770
1-[3-[benzyl(methyl)amino]-4-chlorophenyl]ethanone
CID 82535424
1-[4-hydroxy-3-[[methyl(propan-2-yl)amino]methyl]phenyl]ethanone
CID 43788355
(5-acetyl-2-chlorophenyl)methyl N-tert-butylcarbamate
CID 175282842
2-(5-acetyl-2-methoxyphenyl)-N-[(2-chloro-6-fluorophenyl)methyl]-N-methylacetamide
CID 18189527
4-chloro-3-ethylbenzoic acid
CID 21412279
N-[(2-hydroxy-5-methylphenyl)methyl]-N-methylacetamide
CID 130034284
N-[[4-[[acetyl(methyl)amino]methyl]phenyl]methyl]-N-methylacetamide
CID 20593123

Frequently Asked Questions

What is the IUPAC name of N-[(5-acetyl-2-chlorophenyl)methyl]-N-methylacetamide?
The IUPAC name of N-[(5-acetyl-2-chlorophenyl)methyl]-N-methylacetamide (CID 66789788) is N-[(5-acetyl-2-chlorophenyl)methyl]-N-methylacetamide.
What is the SMILES notation for N-[(5-acetyl-2-chlorophenyl)methyl]-N-methylacetamide?
The canonical SMILES for N-[(5-acetyl-2-chlorophenyl)methyl]-N-methylacetamide is CC(=O)c1ccc(Cl)c(CN(C)C(C)=O)c1.
What is the InChIKey of N-[(5-acetyl-2-chlorophenyl)methyl]-N-methylacetamide?
The InChIKey is HFYMYKJAISCQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-8(15)10-4-5-12(13)11(6-10)7-14(3)9(2)16/h4-6H,7H2,1-3H3.
What are the key properties of N-[(5-acetyl-2-chlorophenyl)methyl]-N-methylacetamide?
N-[(5-acetyl-2-chlorophenyl)methyl]-N-methylacetamide has a molecular weight of 239.70 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-acetyl-2-chlorophenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 66789788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).