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

C10H12ClNO — CID 67968204

IUPACN-[(4-chloro-2-methylphenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(Cl)cc1C
InChIInChI=1S/C10H12ClNO/c1-7-5-10(11)4-3-9(7)6-12-8(2)13/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyOLPWZCAUUALPLD-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.28
Rot. Bonds2

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

N-[(4-chloro-2-methylphenyl)methyl]acetamide (PubChem CID 67968204) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is N-[(4-chloro-2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(4-chloro-2-methylphenyl)methyl]acetamide
PubChem CID67968204
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC NameN-[(4-chloro-2-methylphenyl)methyl]acetamide
SMILESCC(=O)NCc1ccc(Cl)cc1C
InChIInChI=1S/C10H12ClNO/c1-7-5-10(11)4-3-9(7)6-12-8(2)13/h3-5H,6H2,1-2H3,(H,12,13)
InChIKeyOLPWZCAUUALPLD-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

(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
2-(4-chloro-2-methylphenyl)-N-ethylacetamide
CID 142912369
N-[(2-chloro-4-methylphenyl)methyl]acetamide
CID 91098777
N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide
CID 67968196
N-benzyl-2-[(4-chloro-2-methylphenyl)methylamino]acetamide
CID 104853952
2-[(4-chloro-2-methylphenyl)methylamino]-N,N-diethylacetamide
CID 104854061
2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide
CID 171546068
N-[(2,4-dichlorophenyl)methyl]-2,4,5-trimethylbenzamide
CID 100708024
N-[(4-chloro-2-methylphenyl)methyl]-2-methylbutan-2-amine
CID 104854099
(4-chloro-2-methylphenyl)methyl acetate
CID 91715961
2-[(4-chloro-2-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 113461466
N-[2-[(2,4-dichlorophenyl)methylamino]ethyl]acetamide
CID 28684550

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]acetamide?
The IUPAC name of N-[(4-chloro-2-methylphenyl)methyl]acetamide (CID 67968204) is N-[(4-chloro-2-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-[(4-chloro-2-methylphenyl)methyl]acetamide?
The canonical SMILES for N-[(4-chloro-2-methylphenyl)methyl]acetamide is CC(=O)NCc1ccc(Cl)cc1C.
What is the InChIKey of N-[(4-chloro-2-methylphenyl)methyl]acetamide?
The InChIKey is OLPWZCAUUALPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-7-5-10(11)4-3-9(7)6-12-8(2)13/h3-5H,6H2,1-2H3,(H,12,13).
What are the key properties of N-[(4-chloro-2-methylphenyl)methyl]acetamide?
N-[(4-chloro-2-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-[(4-chloro-2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 67968204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).