2-chloro-N-[3-(cyanomethyl)phenyl]acetamide

C10H9ClN2O — CID 130624468

IUPAC2-chloro-N-[3-(cyanomethyl)phenyl]acetamide
SMILESN#CCc1cccc(NC(=O)CCl)c1
InChIInChI=1S/C10H9ClN2O/c11-7-10(14)13-9-3-1-2-8(6-9)4-5-12/h1-3,6H,4,7H2,(H,13,14)
InChIKeyRBEOACUEVJBBMK-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.93
Rot. Bonds3

About 2-chloro-N-[3-(cyanomethyl)phenyl]acetamide

2-chloro-N-[3-(cyanomethyl)phenyl]acetamide (PubChem CID 130624468) has the molecular formula C10H9ClN2O and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-chloro-N-[3-(cyanomethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(cyanomethyl)phenyl]acetamide
PubChem CID130624468
Molecular FormulaC10H9ClN2O
Molecular Weight208.65 g/mol
Exact Mass208.04
IUPAC Name2-chloro-N-[3-(cyanomethyl)phenyl]acetamide
SMILESN#CCc1cccc(NC(=O)CCl)c1
InChIInChI=1S/C10H9ClN2O/c11-7-10(14)13-9-3-1-2-8(6-9)4-5-12/h1-3,6H,4,7H2,(H,13,14)
InChIKeyRBEOACUEVJBBMK-UHFFFAOYSA-N
XLogP1.93
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-[(2-chloroacetyl)amino]phenyl]acetamide
CID 3742979
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
2-[3-[(2-chloroacetyl)amino]phenyl]-N-methylacetamide
CID 166410090
5-bromo-N-[3-(cyanomethyl)phenyl]furan-2-carboxamide
CID 59654859
2-chloro-N-(3-iodophenyl)acetamide
CID 2342100
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931
N-[4-(cyanomethyl)phenyl]-2-[3-(hydroxymethyl)anilino]acetamide
CID 110878874
3-[(2-chloroacetyl)amino]benzoic acid;hydrochloride
CID 67825046
N-(3-bromophenyl)-2-[4-(cyanomethyl)anilino]acetamide
CID 60661792
N-[4-(cyanomethyl)phenyl]-2-phenylacetamide
CID 674697
2-chloro-N-[[4-(cyanomethyl)phenyl]methyl]acetamide
CID 167866083
2-cyano-N-(3-hydroxyphenyl)acetamide
CID 22099165

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(cyanomethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[3-(cyanomethyl)phenyl]acetamide (CID 130624468) is 2-chloro-N-[3-(cyanomethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(cyanomethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(cyanomethyl)phenyl]acetamide is N#CCc1cccc(NC(=O)CCl)c1.
What is the InChIKey of 2-chloro-N-[3-(cyanomethyl)phenyl]acetamide?
The InChIKey is RBEOACUEVJBBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O/c11-7-10(14)13-9-3-1-2-8(6-9)4-5-12/h1-3,6H,4,7H2,(H,13,14).
What are the key properties of 2-chloro-N-[3-(cyanomethyl)phenyl]acetamide?
2-chloro-N-[3-(cyanomethyl)phenyl]acetamide has a molecular weight of 208.65 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(cyanomethyl)phenyl]acetamide is sourced from PubChem (CID 130624468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).