2-amino-3-fluoro-N-(3-nitrophenyl)benzamide

C13H10FN3O3 — CID 62650434

IUPAC2-amino-3-fluoro-N-(3-nitrophenyl)benzamide
SMILESNc1c(F)cccc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H10FN3O3/c14-11-6-2-5-10(12(11)15)13(18)16-8-3-1-4-9(7-8)17(19)20/h1-7H,15H2,(H,16,18)
InChIKeyMPTFTRSOEAWIMI-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.57
Rot. Bonds3

About 2-amino-3-fluoro-N-(3-nitrophenyl)benzamide

2-amino-3-fluoro-N-(3-nitrophenyl)benzamide (PubChem CID 62650434) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is 2-amino-3-fluoro-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-amino-3-fluoro-N-(3-nitrophenyl)benzamide
PubChem CID62650434
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC Name2-amino-3-fluoro-N-(3-nitrophenyl)benzamide
SMILESNc1c(F)cccc1C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C13H10FN3O3/c14-11-6-2-5-10(12(11)15)13(18)16-8-3-1-4-9(7-8)17(19)20/h1-7H,15H2,(H,16,18)
InChIKeyMPTFTRSOEAWIMI-UHFFFAOYSA-N
XLogP2.57
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.24
LogP ≤ 52.57
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-fluoro-N-(3-nitrophenyl)benzamide
CID 531938
2-chloro-4,5-difluoro-N-(3-nitrophenyl)benzamide
CID 797365
2-[(3-nitrophenyl)carbamoyl]benzoate
CID 6935895
2-amino-N-(3-chlorophenyl)-3-fluorobenzamide
CID 62650234
5-bromo-2-fluoro-N-(3-nitrophenyl)benzamide
CID 9410966
4-amino-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 81235802
2,3-difluoro-N-(3-nitrophenyl)pyridine-4-carboxamide
CID 105380312
2-iodo-5-nitro-N-(3-nitrophenyl)benzamide
CID 38925983
2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide
CID 62649761
2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-nitrophenyl)benzamide
CID 2044985
2-amino-N-(3-bromophenyl)-5-nitrobenzamide
CID 62156590
4-amino-6-methyl-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 81235880

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-N-(3-nitrophenyl)benzamide?
The IUPAC name of 2-amino-3-fluoro-N-(3-nitrophenyl)benzamide (CID 62650434) is 2-amino-3-fluoro-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for 2-amino-3-fluoro-N-(3-nitrophenyl)benzamide?
The canonical SMILES for 2-amino-3-fluoro-N-(3-nitrophenyl)benzamide is Nc1c(F)cccc1C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-amino-3-fluoro-N-(3-nitrophenyl)benzamide?
The InChIKey is MPTFTRSOEAWIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c14-11-6-2-5-10(12(11)15)13(18)16-8-3-1-4-9(7-8)17(19)20/h1-7H,15H2,(H,16,18).
What are the key properties of 2-amino-3-fluoro-N-(3-nitrophenyl)benzamide?
2-amino-3-fluoro-N-(3-nitrophenyl)benzamide has a molecular weight of 275.24 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 62650434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).