3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide

C14H9ClFN3O — CID 115930631

IUPAC3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2cccc(N)c2Cl)c(F)c1
InChIInChI=1S/C14H9ClFN3O/c15-13-9(2-1-3-11(13)18)14(20)19-12-5-4-8(7-17)6-10(12)16/h1-6H,18H2,(H,19,20)
InChIKeyCIPQBORFZHCKAM-UHFFFAOYSA-N
MW289.70 g/mol
LogP3.19
Rot. Bonds2

About 3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide

3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide (PubChem CID 115930631) has the molecular formula C14H9ClFN3O and a molecular weight of 289.70 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide
PubChem CID115930631
Molecular FormulaC14H9ClFN3O
Molecular Weight289.70 g/mol
Exact Mass289.04
IUPAC Name3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide
SMILESN#Cc1ccc(NC(=O)c2cccc(N)c2Cl)c(F)c1
InChIInChI=1S/C14H9ClFN3O/c15-13-9(2-1-3-11(13)18)14(20)19-12-5-4-8(7-17)6-10(12)16/h1-6H,18H2,(H,19,20)
InChIKeyCIPQBORFZHCKAM-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

3-amino-2-chloro-N-(2-fluoro-4-methylphenyl)benzamide
CID 112574577
5-chloro-N-(4-cyano-2-fluorophenyl)-2-methylbenzamide
CID 115532718
3-amino-2-chloro-N-(2,3-difluorophenyl)benzamide
CID 112575125
N-(4-cyano-2-fluorophenyl)-2,6-dihydroxybenzamide
CID 107688649
2,5-dibromo-N-(4-cyano-2-fluorophenyl)thiophene-3-carboxamide
CID 103820442
3-amino-N-(5-bromo-2-fluorophenyl)-2-chlorobenzamide
CID 112574878
3-amino-2-chloro-N-(3-fluoro-2-methylphenyl)benzamide
CID 112575791
2-chloro-N-(3-cyanophenyl)-3-fluorobenzamide
CID 79035948
5-bromo-N-(4-cyano-2-fluorophenyl)-2-iodobenzamide
CID 103820409
3-amino-2-chloro-N-(2-fluoro-5-methoxyphenyl)benzamide
CID 115930606
N-(2-chloro-4-cyanophenyl)-2-fluoro-3-methylbenzamide
CID 103811028
2-amino-4-chloro-N-(2-chloro-4-cyanophenyl)benzamide
CID 107806873

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide (CID 115930631) is 3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide is N#Cc1ccc(NC(=O)c2cccc(N)c2Cl)c(F)c1.
What is the InChIKey of 3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide?
The InChIKey is CIPQBORFZHCKAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN3O/c15-13-9(2-1-3-11(13)18)14(20)19-12-5-4-8(7-17)6-10(12)16/h1-6H,18H2,(H,19,20).
What are the key properties of 3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide?
3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide 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 3-amino-2-chloro-N-(4-cyano-2-fluorophenyl)benzamide is sourced from PubChem (CID 115930631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).