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

C10H12ClNO — CID 88758364

IUPACN-chloro-N-[(2-methylphenyl)methyl]acetamide
SMILESCC(=O)N(Cl)Cc1ccccc1C
InChIInChI=1S/C10H12ClNO/c1-8-5-3-4-6-10(8)7-12(11)9(2)13/h3-6H,7H2,1-2H3
InChIKeyXTYMEFZFAAFGEV-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.50
Rot. Bonds2

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

N-chloro-N-[(2-methylphenyl)methyl]acetamide (PubChem CID 88758364) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is N-chloro-N-[(2-methylphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-chloro-N-[(2-methylphenyl)methyl]acetamide
PubChem CID88758364
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC NameN-chloro-N-[(2-methylphenyl)methyl]acetamide
SMILESCC(=O)N(Cl)Cc1ccccc1C
InChIInChI=1S/C10H12ClNO/c1-8-5-3-4-6-10(8)7-12(11)9(2)13/h3-6H,7H2,1-2H3
InChIKeyXTYMEFZFAAFGEV-UHFFFAOYSA-N
XLogP2.50
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

3-[methyl-[(2-methylphenyl)methyl]amino]-3-oxopropanoic acid
CID 62231590
acetic acid;1-ethyl-2-methylbenzene
CID 67948051
2-[acetyl-[(2-methylphenyl)methyl]amino]-3-methylbutanoic acid
CID 82045020
3-chloro-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 43578823
2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 16769161
2-(2-methylphenyl)acetic acid
CID 67440217
dichloromethane;2-(2-methylphenyl)acetic acid
CID 174962889
2-[(2-chloroacetyl)-[(2-methylphenyl)methyl]amino]acetic acid
CID 166431920
1,3-dimethyl-1-[(2-methylphenyl)methyl]urea
CID 23563161
N,N,N',N'-tetrakis[(2-methylphenyl)methyl]ethane-1,2-diamine
CID 86028064
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127
ethane;2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 142212202

Frequently Asked Questions

What is the IUPAC name of N-chloro-N-[(2-methylphenyl)methyl]acetamide?
The IUPAC name of N-chloro-N-[(2-methylphenyl)methyl]acetamide (CID 88758364) is N-chloro-N-[(2-methylphenyl)methyl]acetamide.
What is the SMILES notation for N-chloro-N-[(2-methylphenyl)methyl]acetamide?
The canonical SMILES for N-chloro-N-[(2-methylphenyl)methyl]acetamide is CC(=O)N(Cl)Cc1ccccc1C.
What is the InChIKey of N-chloro-N-[(2-methylphenyl)methyl]acetamide?
The InChIKey is XTYMEFZFAAFGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-8-5-3-4-6-10(8)7-12(11)9(2)13/h3-6H,7H2,1-2H3.
What are the key properties of N-chloro-N-[(2-methylphenyl)methyl]acetamide?
N-chloro-N-[(2-methylphenyl)methyl]acetamide has a molecular weight of 197.66 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N-[(2-methylphenyl)methyl]acetamide is sourced from PubChem (CID 88758364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).