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

C14H10FN3O — CID 62678530

IUPAC4-amino-N-(3-cyanophenyl)-3-fluorobenzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(N)c(F)c2)c1
InChIInChI=1S/C14H10FN3O/c15-12-7-10(4-5-13(12)17)14(19)18-11-3-1-2-9(6-11)8-16/h1-7H,17H2,(H,18,19)
InChIKeySLJUSHVZOKZTDA-UHFFFAOYSA-N
MW255.25 g/mol
LogP2.53
Rot. Bonds2

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

4-amino-N-(3-cyanophenyl)-3-fluorobenzamide (PubChem CID 62678530) has the molecular formula C14H10FN3O and a molecular weight of 255.25 g/mol. Its IUPAC name is 4-amino-N-(3-cyanophenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(3-cyanophenyl)-3-fluorobenzamide
PubChem CID62678530
Molecular FormulaC14H10FN3O
Molecular Weight255.25 g/mol
Exact Mass255.08
IUPAC Name4-amino-N-(3-cyanophenyl)-3-fluorobenzamide
SMILESN#Cc1cccc(NC(=O)c2ccc(N)c(F)c2)c1
InChIInChI=1S/C14H10FN3O/c15-12-7-10(4-5-13(12)17)14(19)18-11-3-1-2-9(6-11)8-16/h1-7H,17H2,(H,18,19)
InChIKeySLJUSHVZOKZTDA-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-bromo-N-(3-cyanophenyl)-3-fluorobenzamide
CID 47421832
N-(3-acetamidophenyl)-4-amino-3-fluorobenzamide
CID 62679268
4-N-(3-cyanophenyl)-1-N-(4-fluorophenyl)benzene-1,4-dicarboxamide
CID 109049931
N-(3-cyanophenyl)-4-[4-[(3-cyanophenyl)carbamoyl]phenyl]benzamide
CID 90213286
4-amino-N-(3-chloro-4-cyanophenyl)-3-fluorobenzamide
CID 62679836
3-N-(3-chloro-4-fluorophenyl)-1-N-(3-cyanophenyl)benzene-1,3-dicarboxamide
CID 109057592
N-(3-cyanophenyl)-4-iodobenzamide
CID 875242
1-N-(3-cyanophenyl)-3-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109057785
N-(3-cyanophenyl)-4-(methylamino)benzamide
CID 62166375
1-N-(3-chlorophenyl)-4-N-(3-cyanophenyl)benzene-1,4-dicarboxamide
CID 109049974
N-(3-cyanophenyl)pyridine-4-carboxamide
CID 734714
N-(3-cyanophenyl)-4-(difluoromethylsulfanyl)benzamide
CID 17469695

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-cyanophenyl)-3-fluorobenzamide?
The IUPAC name of 4-amino-N-(3-cyanophenyl)-3-fluorobenzamide (CID 62678530) is 4-amino-N-(3-cyanophenyl)-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(3-cyanophenyl)-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-(3-cyanophenyl)-3-fluorobenzamide is N#Cc1cccc(NC(=O)c2ccc(N)c(F)c2)c1.
What is the InChIKey of 4-amino-N-(3-cyanophenyl)-3-fluorobenzamide?
The InChIKey is SLJUSHVZOKZTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN3O/c15-12-7-10(4-5-13(12)17)14(19)18-11-3-1-2-9(6-11)8-16/h1-7H,17H2,(H,18,19).
What are the key properties of 4-amino-N-(3-cyanophenyl)-3-fluorobenzamide?
4-amino-N-(3-cyanophenyl)-3-fluorobenzamide 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 4-amino-N-(3-cyanophenyl)-3-fluorobenzamide is sourced from PubChem (CID 62678530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).