2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide

C11H10ClFN2O — CID 61119070

IUPAC2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide
SMILESCCC(C#N)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C11H10ClFN2O/c1-2-7(6-14)15-11(16)10-8(12)4-3-5-9(10)13/h3-5,7H,2H2,1H3,(H,15,16)
InChIKeyPXJFZWFZNJGVSD-UHFFFAOYSA-N
MW240.66 g/mol
LogP2.51
Rot. Bonds3

About 2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide

2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide (PubChem CID 61119070) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide
PubChem CID61119070
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide
SMILESCCC(C#N)NC(=O)c1c(F)cccc1Cl
InChIInChI=1S/C11H10ClFN2O/c1-2-7(6-14)15-11(16)10-8(12)4-3-5-9(10)13/h3-5,7H,2H2,1H3,(H,15,16)
InChIKeyPXJFZWFZNJGVSD-UHFFFAOYSA-N
XLogP2.51
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-6-fluoro-N-[(2R)-1-hydroxybutan-2-yl]benzamide
CID 103920045
(2S)-2-[(2-chloro-6-fluorobenzoyl)amino]butanoic acid
CID 42255188
2-chloro-N-(cyanomethyl)-6-fluorobenzamide
CID 60894493
2,6-dichloro-N-(1-cyano-2-ethylperoxyethyl)benzamide
CID 156702297
2,5-dichloro-N-(1-cyanopropyl)benzamide
CID 61119464
2-chloro-6-fluoro-N-heptan-2-ylbenzamide
CID 78789535
2-chloro-6-fluoro-N-(1-hydroxy-3-methylbutan-2-yl)benzamide
CID 79252320
1-(2-chlorophenyl)-3-(1-cyanopropyl)urea
CID 61124405
N-[(2S)-1-aminopropan-2-yl]-2-chloro-6-fluorobenzamide;hydrochloride
CID 120508040
N-(1-cyanopropyl)-3,5-difluorobenzamide
CID 61119274
ethyl (2S,3R)-3-[(2-chloro-6-fluorobenzoyl)amino]-2-methylbutanoate
CID 124854483
(2S)-2-[(2-chloro-6-fluorobenzoyl)amino]butanedioic acid
CID 113226112

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide (CID 61119070) is 2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide is CCC(C#N)NC(=O)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide?
The InChIKey is PXJFZWFZNJGVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-2-7(6-14)15-11(16)10-8(12)4-3-5-9(10)13/h3-5,7H,2H2,1H3,(H,15,16).
What are the key properties of 2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide?
2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide has a molecular weight of 240.66 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-cyanopropyl)-6-fluorobenzamide is sourced from PubChem (CID 61119070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).