N-(3-amino-4-fluorophenyl)-4-nitrobenzamide

C13H10FN3O3 — CID 63257606

IUPACN-(3-amino-4-fluorophenyl)-4-nitrobenzamide
SMILESNc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1F
InChIInChI=1S/C13H10FN3O3/c14-11-6-3-9(7-12(11)15)16-13(18)8-1-4-10(5-2-8)17(19)20/h1-7H,15H2,(H,16,18)
InChIKeyUOXYKCFDRDAJCY-UHFFFAOYSA-N
MW275.24 g/mol
LogP2.57
Rot. Bonds3

About N-(3-amino-4-fluorophenyl)-4-nitrobenzamide

N-(3-amino-4-fluorophenyl)-4-nitrobenzamide (PubChem CID 63257606) has the molecular formula C13H10FN3O3 and a molecular weight of 275.24 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-4-nitrobenzamide
PubChem CID63257606
Molecular FormulaC13H10FN3O3
Molecular Weight275.24 g/mol
Exact Mass275.07
IUPAC NameN-(3-amino-4-fluorophenyl)-4-nitrobenzamide
SMILESNc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1F
InChIInChI=1S/C13H10FN3O3/c14-11-6-3-9(7-12(11)15)16-13(18)8-1-4-10(5-2-8)17(19)20/h1-7H,15H2,(H,16,18)
InChIKeyUOXYKCFDRDAJCY-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

N-(3-amino-4-fluorophenyl)-2-methyl-4-nitrobenzamide
CID 63257262
N-(4-amino-3-methylphenyl)-4-nitrobenzamide
CID 147874410
N-(3-amino-4-fluorophenyl)-4-bromobenzamide
CID 16777540
N-(3,4-dinitrophenyl)-4-nitrobenzamide
CID 5185042
N-(4-fluorophenyl)-3-[(4-nitrobenzoyl)amino]benzamide
CID 26158826
4-fluoro-N-[4-(4-nitrophenyl)phenyl]benzamide
CID 579434
N-(3-chloro-5-fluorophenyl)-4-nitrobenzamide
CID 135306683
3-amino-N-(3,4-dicyanophenyl)-4-fluorobenzamide
CID 107786862
4-nitro-N-[6-[(4-nitrobenzoyl)amino]-9,10-dioxoanthracen-2-yl]benzamide
CID 5207304
2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
CID 43245709
N-[4-methyl-3-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4607530
N-(4-chloro-2-fluorophenyl)-4-nitrobenzamide
CID 4173118

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-4-nitrobenzamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-4-nitrobenzamide (CID 63257606) is N-(3-amino-4-fluorophenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-4-nitrobenzamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-4-nitrobenzamide is Nc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-4-nitrobenzamide?
The InChIKey is UOXYKCFDRDAJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3/c14-11-6-3-9(7-12(11)15)16-13(18)8-1-4-10(5-2-8)17(19)20/h1-7H,15H2,(H,16,18).
What are the key properties of N-(3-amino-4-fluorophenyl)-4-nitrobenzamide?
N-(3-amino-4-fluorophenyl)-4-nitrobenzamide 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 N-(3-amino-4-fluorophenyl)-4-nitrobenzamide is sourced from PubChem (CID 63257606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).