N-(3-amino-4-nitrophenyl)benzamide

C13H11N3O3 — CID 3685591

IUPACN-(3-amino-4-nitrophenyl)benzamide
SMILESNc1cc(NC(=O)c2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O3/c14-11-8-10(6-7-12(11)16(18)19)15-13(17)9-4-2-1-3-5-9/h1-8H,14H2,(H,15,17)
InChIKeyYEXPIFOWAKMGJW-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.43
Rot. Bonds3

About N-(3-amino-4-nitrophenyl)benzamide

N-(3-amino-4-nitrophenyl)benzamide (PubChem CID 3685591) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is N-(3-amino-4-nitrophenyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-4-nitrophenyl)benzamide
PubChem CID3685591
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC NameN-(3-amino-4-nitrophenyl)benzamide
SMILESNc1cc(NC(=O)c2ccccc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H11N3O3/c14-11-8-10(6-7-12(11)16(18)19)15-13(17)9-4-2-1-3-5-9/h1-8H,14H2,(H,15,17)
InChIKeyYEXPIFOWAKMGJW-UHFFFAOYSA-N
XLogP2.43
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.43
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

3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide
CID 62680652
3-amino-N-(4-fluorophenyl)-4-nitrobenzamide
CID 62681564
3-amino-4-nitro-N-pyridin-4-ylbenzamide
CID 62681915
(3-amino-4-nitrophenyl)-phenylmethanone
CID 4017647
3-amino-N-(3-bromo-4-nitrophenyl)benzamide
CID 82864982
N-(3-amino-4-nitrophenyl)-3-oxobutanamide
CID 58722529
3-amino-N-(2-iodophenyl)-4-nitrobenzamide
CID 62681027
N-(3,4-dinitrophenyl)-4-nitrobenzamide
CID 5185042
N-(3,4-dinitrophenyl)-4-hydroxybenzamide
CID 86673990
3-amino-N-(2-methylphenyl)-4-nitrobenzamide
CID 62682473
3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 55633368
N-(3-amino-4-fluorophenyl)-4-nitrobenzamide
CID 63257606

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-nitrophenyl)benzamide?
The IUPAC name of N-(3-amino-4-nitrophenyl)benzamide (CID 3685591) is N-(3-amino-4-nitrophenyl)benzamide.
What is the SMILES notation for N-(3-amino-4-nitrophenyl)benzamide?
The canonical SMILES for N-(3-amino-4-nitrophenyl)benzamide is Nc1cc(NC(=O)c2ccccc2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(3-amino-4-nitrophenyl)benzamide?
The InChIKey is YEXPIFOWAKMGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c14-11-8-10(6-7-12(11)16(18)19)15-13(17)9-4-2-1-3-5-9/h1-8H,14H2,(H,15,17).
What are the key properties of N-(3-amino-4-nitrophenyl)benzamide?
N-(3-amino-4-nitrophenyl)benzamide has a molecular weight of 257.25 g/mol, XLogP of 2.43, 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-nitrophenyl)benzamide is sourced from PubChem (CID 3685591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).