4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide

C11H10ClFN2O — CID 103876454

IUPAC4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide
SMILESCC(C#N)CNC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H10ClFN2O/c1-7(5-14)6-15-11(16)8-2-3-9(12)10(13)4-8/h2-4,7H,6H2,1H3,(H,15,16)
InChIKeyUJZCLWHCUPWGNB-UHFFFAOYSA-N
MW240.66 g/mol
LogP2.37
Rot. Bonds3

About 4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide

4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide (PubChem CID 103876454) has the molecular formula C11H10ClFN2O and a molecular weight of 240.66 g/mol. Its IUPAC name is 4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide
PubChem CID103876454
Molecular FormulaC11H10ClFN2O
Molecular Weight240.66 g/mol
Exact Mass240.05
IUPAC Name4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide
SMILESCC(C#N)CNC(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C11H10ClFN2O/c1-7(5-14)6-15-11(16)8-2-3-9(12)10(13)4-8/h2-4,7H,6H2,1H3,(H,15,16)
InChIKeyUJZCLWHCUPWGNB-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-(2-cyanopropyl)-3-methylbenzamide
CID 112699238
4-chloro-3-fluoro-N-(2-methylpropyl)benzamide
CID 103875490
4-bromo-3-chloro-N-(2-cyanopropyl)benzamide
CID 81002442
4-chloro-3-fluoro-N-(3-hydroxy-2-methylpropyl)benzamide
CID 103876641
4-chloro-3-fluoro-N-(4-hydroxy-2-methylbutyl)benzamide
CID 103876642
N-(2-bromobutyl)-4-chloro-3-fluorobenzamide
CID 107994206
4-amino-3,5-dichloro-N-(2-cyanopropyl)benzamide
CID 82833436
4-chloro-N-(4-cyanobutyl)-3-fluorobenzamide
CID 113343444
4-chloro-3-fluoro-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103876622
4-chloro-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 107990807
N-(2-cyanopropyl)-3-hydroxy-4-iodobenzamide
CID 104628357
N-(2-bromo-4,4-dimethylpentyl)-4-chloro-3-fluorobenzamide
CID 114025307

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide?
The IUPAC name of 4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide (CID 103876454) is 4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide.
What is the SMILES notation for 4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide?
The canonical SMILES for 4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide is CC(C#N)CNC(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of 4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide?
The InChIKey is UJZCLWHCUPWGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2O/c1-7(5-14)6-15-11(16)8-2-3-9(12)10(13)4-8/h2-4,7H,6H2,1H3,(H,15,16).
What are the key properties of 4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide?
4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide has a molecular weight of 240.66 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide is sourced from PubChem (CID 103876454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).