2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide

C11H10ClFN2O — CID 79035909

IUPAC2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide
SMILESCC(C)(C#N)NC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C11H10ClFN2O/c1-11(2,6-14)15-10(16)7-4-3-5-8(13)9(7)12/h3-5H,1-2H3,(H,15,16)
InChIKeyKILRAWCFYWGUQB-UHFFFAOYSA-N
MW240.66 g/mol
LogP2.51
Rot. Bonds2

About 2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide

2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide (PubChem CID 79035909) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide
PubChem CID79035909
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide
SMILESCC(C)(C#N)NC(=O)c1cccc(F)c1Cl
InChIInChI=1S/C11H10ClFN2O/c1-11(2,6-14)15-10(16)7-4-3-5-8(13)9(7)12/h3-5H,1-2H3,(H,15,16)
InChIKeyKILRAWCFYWGUQB-UHFFFAOYSA-N
XLogP2.51
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-N-(3-cyanopentan-3-yl)-3-fluorobenzamide
CID 81454599
2,5-dichloro-N-(2-cyanopropan-2-yl)benzamide
CID 60968665
2-(2-cyanopropan-2-ylcarbamoyl)benzoic acid
CID 590819
2-chloro-N-(2-cyano-3-fluorophenyl)-3-fluorobenzamide
CID 79035734
2-chloro-N-(2-cyanophenyl)-3-fluorobenzamide
CID 79044792
2-chloro-3-fluoro-N-(4-hydroxy-1-methoxy-2-methylbutan-2-yl)benzamide
CID 110002736
(2S)-2-[(2-chloro-3-fluorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 81362000
N-(2-cyanopropan-2-yl)-4-fluorobenzamide
CID 60966958
2-bromo-N-(2-cyanopropan-2-yl)pyridine-3-carboxamide
CID 103755271
2-(2-chloro-3-fluorobenzoyl)butanenitrile
CID 81453838
methyl 3-[(2-chloro-3-fluorobenzoyl)amino]-2,2-dimethylpropanoate
CID 71921089
2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide
CID 79035948

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide?
The IUPAC name of 2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide (CID 79035909) is 2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide is CC(C)(C#N)NC(=O)c1cccc(F)c1Cl.
What is the InChIKey of 2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide?
The InChIKey is KILRAWCFYWGUQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-11(2,6-14)15-10(16)7-4-3-5-8(13)9(7)12/h3-5H,1-2H3,(H,15,16).
What are the key properties of 2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide?
2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide has a molecular weight of 240.66 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-cyanopropan-2-yl)-3-fluorobenzamide is sourced from PubChem (CID 79035909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).