2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide

C14H12FN3O3 — CID 43708503

IUPAC2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C14H12FN3O3/c1-8-6-10(18(20)21)3-5-13(8)17-14(19)11-7-9(15)2-4-12(11)16/h2-7H,16H2,1H3,(H,17,19)
InChIKeyUYBHTAAPGYQVGU-UHFFFAOYSA-N
MW289.27 g/mol
LogP2.88
Rot. Bonds3

About 2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide

2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide (PubChem CID 43708503) has the molecular formula C14H12FN3O3 and a molecular weight of 289.27 g/mol. Its IUPAC name is 2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
PubChem CID43708503
Molecular FormulaC14H12FN3O3
Molecular Weight289.27 g/mol
Exact Mass289.09
IUPAC Name2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C14H12FN3O3/c1-8-6-10(18(20)21)3-5-13(8)17-14(19)11-7-9(15)2-4-12(11)16/h2-7H,16H2,1H3,(H,17,19)
InChIKeyUYBHTAAPGYQVGU-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-amino-4-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 63110152
4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzoic acid
CID 43714021
4-[(2-amino-5-fluorobenzoyl)amino]-3-methylbenzamide
CID 43706640
2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
CID 43245709
4-fluoro-N-(2-fluoro-4-nitrophenyl)-2-methylbenzamide
CID 115745847
2-amino-5-fluoro-N-(4-hydroxy-2-nitrophenyl)benzamide
CID 43695935
2-amino-N-(2-fluoro-5-nitrophenyl)-5-methylbenzamide
CID 62510366
2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 81110110
N-(5-fluoro-2-methylphenyl)-2-iodo-5-nitrobenzamide
CID 38898747
1-N-(4-fluoro-2-methylphenyl)-4-nitrobenzene-1,2-diamine
CID 55079971
3-bromo-4-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 107951971
2-[(2-amino-5-fluorobenzoyl)amino]-5-fluorobenzoic acid
CID 61157616

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide?
The IUPAC name of 2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide (CID 43708503) is 2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide.
What is the SMILES notation for 2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide?
The canonical SMILES for 2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(F)ccc1N.
What is the InChIKey of 2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide?
The InChIKey is UYBHTAAPGYQVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O3/c1-8-6-10(18(20)21)3-5-13(8)17-14(19)11-7-9(15)2-4-12(11)16/h2-7H,16H2,1H3,(H,17,19).
What are the key properties of 2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide?
2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide 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-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide is sourced from PubChem (CID 43708503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).