4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide

C14H9ClFN3O — CID 62679836

IUPAC4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(N)c(F)c2)cc1Cl
InChIInChI=1S/C14H9ClFN3O/c15-11-6-10(3-1-9(11)7-17)19-14(20)8-2-4-13(18)12(16)5-8/h1-6H,18H2,(H,19,20)
InChIKeyAOYIOWOAYINCEP-UHFFFAOYSA-N
MW289.70 g/mol
LogP3.19
Rot. Bonds2

About 4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide

4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide (PubChem CID 62679836) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide
PubChem CID62679836
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide
SMILESN#Cc1ccc(NC(=O)c2ccc(N)c(F)c2)cc1Cl
InChIInChI=1S/C14H9ClFN3O/c15-11-6-10(3-1-9(11)7-17)19-14(20)8-2-4-13(18)12(16)5-8/h1-6H,18H2,(H,19,20)
InChIKeyAOYIOWOAYINCEP-UHFFFAOYSA-N
XLogP3.19
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.70
LogP ≤ 53.19
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-(3-cyanophenyl)-3-fluorobenzamide
CID 62678530
2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 43168358
3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide
CID 107786862
N-(4-amino-3-chlorophenyl)-4-bromo-3-fluorobenzamide
CID 82861950
N-(3-chloro-4-cyanophenyl)-4-phenylbenzamide
CID 2113579
N-(4-amino-3-bromophenyl)-4-chloro-3-fluorobenzamide
CID 107997647
4-amino-N-(5-bromo-2-cyanophenyl)-3-fluorobenzamide
CID 107796954
4-amino-3-fluoro-N-(4-methylphenyl)benzamide
CID 55103260
3-amino-N-(3-chloro-4-cyanophenyl)-5-methoxybenzamide
CID 81093136
4-chloro-N-(3-chloro-4-cyanophenyl)-3-methylsulfonylbenzamide
CID 26699911
1-(4-aminophenyl)-3-(3-chloro-4-cyanophenyl)urea
CID 43469099
N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62241163

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide?
The IUPAC name of 4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide (CID 62679836) is 4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide is N#Cc1ccc(NC(=O)c2ccc(N)c(F)c2)cc1Cl.
What is the InChIKey of 4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide?
The InChIKey is AOYIOWOAYINCEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c15-11-6-10(3-1-9(11)7-17)19-14(20)8-2-4-13(18)12(16)5-8/h1-6H,18H2,(H,19,20).
What are the key properties of 4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide?
4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide has a molecular weight of 289.70 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide is sourced from PubChem (CID 62679836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).