N-[(2-chloro-4-methylphenyl)methyl]acetamide

C10H12ClNO — CID 91098777

IUPACN-[(2-chloro-4-methylphenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(C)cc1Cl
InChIInChI=1S/C10H12ClNO/c1-7-3-4-9(10(11)5-7)6-12-8(2)13/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyKIZQUWOSRBNULS-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.28
Rot. Bonds2

About N-[(2-chloro-4-methylphenyl)methyl]acetamide

N-[(2-chloro-4-methylphenyl)methyl]acetamide (PubChem CID 91098777) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is N-[(2-chloro-4-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(2-chloro-4-methylphenyl)methyl]acetamide
PubChem CID91098777
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC NameN-[(2-chloro-4-methylphenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(C)cc1Cl
InChIInChI=1S/C10H12ClNO/c1-7-3-4-9(10(11)5-7)6-12-8(2)13/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyKIZQUWOSRBNULS-UHFFFAOYSA-N
XLogP2.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-amino-2-chlorophenyl)methyl]acetamide
CID 142080080
2-[(2-chloro-4-methylphenyl)methylamino]acetic acid
CID 106865112
N-[(2,5-dimethylphenyl)methyl]acetamide
CID 759326
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
2-acetamido-N-(2-chloro-4-methylphenyl)acetamide
CID 47101426
2-[(2-chloro-4-methylphenyl)methylamino]-N,N-diethylacetamide
CID 106863102
(2-chloro-4-methylphenyl)methylhydrazine
CID 106860884
N-[(2-methoxy-5-methylphenyl)methyl]acetamide
CID 110779845
N-[(2,4-dichlorophenyl)methyl]-2,4-dimethylbenzamide
CID 2446682
4-[(2-chloro-4-methylphenyl)methylamino]butanamide
CID 106862371
1-(2-chloro-4-methylphenyl)-3-methylbut-3-en-2-one
CID 106867179
2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 106862345

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]acetamide?
The IUPAC name of N-[(2-chloro-4-methylphenyl)methyl]acetamide (CID 91098777) is N-[(2-chloro-4-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-[(2-chloro-4-methylphenyl)methyl]acetamide?
The canonical SMILES for N-[(2-chloro-4-methylphenyl)methyl]acetamide is CC(=O)NCc1ccc(C)cc1Cl.
What is the InChIKey of N-[(2-chloro-4-methylphenyl)methyl]acetamide?
The InChIKey is KIZQUWOSRBNULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-7-3-4-9(10(11)5-7)6-12-8(2)13/h3-5H,6H2,1-2H3,(H,12,13).
What are the key properties of N-[(2-chloro-4-methylphenyl)methyl]acetamide?
N-[(2-chloro-4-methylphenyl)methyl]acetamide has a molecular weight of 197.66 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-4-methylphenyl)methyl]acetamide is sourced from PubChem (CID 91098777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).