2-chloro-N-(cyanomethyl)-6-fluorobenzamide

C9H6ClFN2O — CID 60894493

IUPAC2-chloro-N-(cyanomethyl)-6-fluorobenzamide
SMILESN#CCNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C9H6ClFN2O/c10-6-2-1-3-7(11)8(6)9(14)13-5-4-12/h1-3H,5H2,(H,13,14)
InChIKeyAOHPLGMNLMQZTR-UHFFFAOYSA-N
MW212.61 g/mol
LogP1.73
Rot. Bonds2

About 2-chloro-N-(cyanomethyl)-6-fluorobenzamide

2-chloro-N-(cyanomethyl)-6-fluorobenzamide (PubChem CID 60894493) has the molecular formula C9H6ClFN2O and a molecular weight of 212.61 g/mol. Its IUPAC name is 2-chloro-N-(cyanomethyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(cyanomethyl)-6-fluorobenzamide
PubChem CID60894493
Molecular FormulaC9H6ClFN2O
Molecular Weight212.61 g/mol
Exact Mass212.02
IUPAC Name2-chloro-N-(cyanomethyl)-6-fluorobenzamide
SMILESN#CCNC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C9H6ClFN2O/c10-6-2-1-3-7(11)8(6)9(14)13-5-4-12/h1-3H,5H2,(H,13,14)
InChIKeyAOHPLGMNLMQZTR-UHFFFAOYSA-N
XLogP1.73
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.61
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-fluoro-N-(2-methoxyethyl)benzamide
CID 17217215
methyl 2-[(2-chloro-6-fluorobenzoyl)amino]acetate
CID 43423009
N-[2-[(2-chloro-6-fluorobenzoyl)amino]ethyl]-2,6-dimethoxybenzamide
CID 108538805
2-chloro-6-fluoro-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119503921
2-chloro-N-[2-[(2,2-dichloroacetyl)amino]ethyl]-6-fluorobenzamide
CID 108575168
2-chloro-N-(2-chloroprop-2-enyl)-6-fluorobenzamide
CID 115636603
2-chloro-6-fluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64993974
3-(2-chloro-6-fluorophenyl)-3-oxopropanenitrile
CID 24703509
2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide
CID 61119070
3-[(2-chloro-6-fluorobenzoyl)amino]-2,2-dimethylpropanoic acid
CID 81367390
3-[(2-chloro-6-fluorobenzoyl)amino]-2-methoxypropanoic acid
CID 106107187
2-chloro-6-fluoro-N,N-bis(2-methoxyethyl)benzamide
CID 51074979

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyanomethyl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(cyanomethyl)-6-fluorobenzamide (CID 60894493) is 2-chloro-N-(cyanomethyl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(cyanomethyl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(cyanomethyl)-6-fluorobenzamide is N#CCNC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-(cyanomethyl)-6-fluorobenzamide?
The InChIKey is AOHPLGMNLMQZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClFN2O/c10-6-2-1-3-7(11)8(6)9(14)13-5-4-12/h1-3H,5H2,(H,13,14).
What are the key properties of 2-chloro-N-(cyanomethyl)-6-fluorobenzamide?
2-chloro-N-(cyanomethyl)-6-fluorobenzamide has a molecular weight of 212.61 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyanomethyl)-6-fluorobenzamide is sourced from PubChem (CID 60894493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).