5-amino-2-cyano-N-(4-fluorophenyl)benzamide

C14H10FN3O — CID 122618305

IUPAC5-amino-2-cyano-N-(4-fluorophenyl)benzamide
SMILESN#Cc1ccc(N)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H10FN3O/c15-10-2-5-12(6-3-10)18-14(19)13-7-11(17)4-1-9(13)8-16/h1-7H,17H2,(H,18,19)
InChIKeyJDANQCBJOBOPQO-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.53
Rot. Bonds2

About 5-amino-2-cyano-N-(4-fluorophenyl)benzamide

5-amino-2-cyano-N-(4-fluorophenyl)benzamide (PubChem CID 122618305) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 5-amino-2-cyano-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name5-amino-2-cyano-N-(4-fluorophenyl)benzamide
PubChem CID122618305
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name5-amino-2-cyano-N-(4-fluorophenyl)benzamide
SMILESN#Cc1ccc(N)cc1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C14H10FN3O/c15-10-2-5-12(6-3-10)18-14(19)13-7-11(17)4-1-9(13)8-16/h1-7H,17H2,(H,18,19)
InChIKeyJDANQCBJOBOPQO-UHFFFAOYSA-N
XLogP2.53
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-(4-aminophenyl)-2-cyanobenzamide
CID 19689750
5-amino-N-(3,4-dicyanophenyl)-2-methylbenzamide
CID 107786844
5-amino-N-(3-cyano-4-fluorophenyl)-2-methylbenzamide
CID 62318012
4-amino-2-chloro-N-(4-fluorophenyl)benzamide
CID 16787993
5-amino-N-(4-cyanophenyl)-2-methylbenzamide
CID 61291527
N-(3,4-dicyanophenyl)-5-fluoro-2-hydroxybenzamide
CID 103944404
2-amino-4-fluoro-N-(4-fluorophenyl)benzamide
CID 62059687
5-amino-N-(2-cyano-4-fluorophenyl)-2-methoxybenzamide
CID 82013560
2-amino-5-chloro-N-(4-fluorophenyl)benzamide
CID 6481536
5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 62058585
methyl 4-[(5-amino-2-fluorobenzoyl)amino]benzoate
CID 61117353
2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
CID 43245709

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-cyano-N-(4-fluorophenyl)benzamide?
The IUPAC name of 5-amino-2-cyano-N-(4-fluorophenyl)benzamide (CID 122618305) is 5-amino-2-cyano-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 5-amino-2-cyano-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 5-amino-2-cyano-N-(4-fluorophenyl)benzamide is N#Cc1ccc(N)cc1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of 5-amino-2-cyano-N-(4-fluorophenyl)benzamide?
The InChIKey is JDANQCBJOBOPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-10-2-5-12(6-3-10)18-14(19)13-7-11(17)4-1-9(13)8-16/h1-7H,17H2,(H,18,19).
What are the key properties of 5-amino-2-cyano-N-(4-fluorophenyl)benzamide?
5-amino-2-cyano-N-(4-fluorophenyl)benzamide has a molecular weight of 255.25 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-cyano-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 122618305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).