2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide

C14H12FN3O3 — CID 107335598

IUPAC2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(N)c1
InChIInChI=1S/C14H12FN3O3/c1-8-2-3-12(13(16)4-8)14(19)17-10-5-9(15)6-11(7-10)18(20)21/h2-7H,16H2,1H3,(H,17,19)
InChIKeyGJKSSYJNJJYKCM-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.88
Rot. Bonds3

About 2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide

2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide (PubChem CID 107335598) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide
PubChem CID107335598
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(N)c1
InChIInChI=1S/C14H12FN3O3/c1-8-2-3-12(13(16)4-8)14(19)17-10-5-9(15)6-11(7-10)18(20)21/h2-7H,16H2,1H3,(H,17,19)
InChIKeyGJKSSYJNJJYKCM-UHFFFAOYSA-N
XLogP2.88
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.27
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(3-fluoro-5-methylphenyl)-4-nitrobenzamide
CID 79044512
2-amino-N-(3,5-dichloro-4-fluorophenyl)-4-methylbenzamide
CID 107578408
2-amino-4-fluoro-N-(5-methyl-2-nitrophenyl)benzamide
CID 115912695
2-amino-N-(3,5-difluorophenyl)-4-fluorobenzamide
CID 63109717
4-fluoro-N-(3-fluoro-5-nitrophenyl)-3-methylbenzamide
CID 107334858
3-fluoro-N-(3-fluoro-5-nitrophenyl)pyridine-4-carboxamide
CID 107334867
2-amino-N-(3-fluoro-5-nitrophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 107335092
6-amino-N-(3-fluoro-5-nitrophenyl)pyridine-2-carboxamide
CID 107335605
2-amino-4-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 63110152
N-(3-fluoro-5-nitrophenyl)-3-hydrazinylpyridine-4-carboxamide
CID 107335631
2-amino-N-(2-fluoro-5-nitrophenyl)-5-methylbenzamide
CID 62510366
5-amino-N-(3-fluoro-5-nitrophenyl)pyrazine-2-carboxamide
CID 107377381

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide?
The IUPAC name of 2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide (CID 107335598) is 2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide.
What is the SMILES notation for 2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide?
The canonical SMILES for 2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide is Cc1ccc(C(=O)Nc2cc(F)cc([N+](=O)[O-])c2)c(N)c1.
What is the InChIKey of 2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide?
The InChIKey is GJKSSYJNJJYKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-8-2-3-12(13(16)4-8)14(19)17-10-5-9(15)6-11(7-10)18(20)21/h2-7H,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide?
2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide has a molecular weight of 289.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-fluoro-5-nitrophenyl)-4-methylbenzamide is sourced from PubChem (CID 107335598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).