N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide

C14H8ClFN2O — CID 60628744

IUPACN-(5-chloro-2-cyanophenyl)-4-fluorobenzamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H8ClFN2O/c15-11-4-1-10(8-17)13(7-11)18-14(19)9-2-5-12(16)6-3-9/h1-7H,(H,18,19)
InChIKeyZVXMRVIKZSSZOM-UHFFFAOYSA-N
MW274.68 g/mol
LogP3.60
Rot. Bonds2

About N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide

N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide (PubChem CID 60628744) has the molecular formula C14H8ClFN2O and a molecular weight of 274.68 g/mol. Its IUPAC name is N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-cyanophenyl)-4-fluorobenzamide
PubChem CID60628744
Molecular FormulaC14H8ClFN2O
Molecular Weight274.68 g/mol
Exact Mass274.03
IUPAC NameN-(5-chloro-2-cyanophenyl)-4-fluorobenzamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C14H8ClFN2O/c15-11-4-1-10(8-17)13(7-11)18-14(19)9-2-5-12(16)6-3-9/h1-7H,(H,18,19)
InChIKeyZVXMRVIKZSSZOM-UHFFFAOYSA-N
XLogP3.60
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.68
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-cyanophenyl)-4-methylbenzamide
CID 60628684
N-(5-chloro-2-fluorophenyl)-4-fluorobenzamide
CID 2664585
N-(5-chloro-2-cyanophenyl)-2,4,6-trifluorobenzamide
CID 65098727
4-chloro-N-(2-cyano-4-fluorophenyl)benzamide
CID 79946601
3-bromo-N-(5-chloro-2-cyanophenyl)-5-fluorobenzamide
CID 64919189
3-bromo-5-chloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 107938866
N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
CID 104880414
2,6-dichloro-N-(5-chloro-2-cyanophenyl)benzamide
CID 60628736
5,6-dichloro-N-(5-chloro-2-cyanophenyl)pyridine-3-carboxamide
CID 60628665
3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 81484638
4-chloro-N-(2-cyano-5-methoxyphenyl)benzamide
CID 134868595
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide?
The IUPAC name of N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide (CID 60628744) is N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide.
What is the SMILES notation for N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide?
The canonical SMILES for N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide is N#Cc1ccc(Cl)cc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide?
The InChIKey is ZVXMRVIKZSSZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClFN2O/c15-11-4-1-10(8-17)13(7-11)18-14(19)9-2-5-12(16)6-3-9/h1-7H,(H,18,19).
What are the key properties of N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide?
N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide has a molecular weight of 274.68 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-cyanophenyl)-4-fluorobenzamide is sourced from PubChem (CID 60628744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).