4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide

C13H9F2N3O3 — CID 60698538

IUPAC4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide
SMILESNc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9F2N3O3/c14-8-4-9(15)6-10(5-8)17-13(19)7-1-2-11(16)12(3-7)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyCFLCPLQHBRSBDH-UHFFFAOYSA-N
MW293.23 g/mol
LogP2.71
Rot. Bonds3

About 4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide

4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide (PubChem CID 60698538) has the molecular formula C13H9F2N3O3 and a molecular weight of 293.23 g/mol. Its IUPAC name is 4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide
PubChem CID60698538
Molecular FormulaC13H9F2N3O3
Molecular Weight293.23 g/mol
Exact Mass293.06
IUPAC Name4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide
SMILESNc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9F2N3O3/c14-8-4-9(15)6-10(5-8)17-13(19)7-1-2-11(16)12(3-7)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyCFLCPLQHBRSBDH-UHFFFAOYSA-N
XLogP2.71
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.23
LogP ≤ 52.71
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

4-amino-N-(3,5-dichlorophenyl)-3-nitrobenzamide
CID 60631186
4-amino-3-nitro-N-pyrimidin-5-ylbenzamide
CID 104862717
4-amino-N-[4-(hydroxymethyl)phenyl]-3-nitrobenzamide
CID 115885265
3-amino-N-(4-fluorophenyl)-4-nitrobenzamide
CID 62681564
4-amino-N-(4-cyanophenyl)-3-nitrobenzamide
CID 60630970
N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 2990730
4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-nitrobenzamide
CID 8921001
ethyl 4-[(4-amino-3-nitrobenzoyl)amino]benzoate
CID 8885571
4-bromo-N-(3-chloro-5-fluorophenyl)-3-nitrobenzamide
CID 103774675
4-amino-3-nitro-N-(4-propan-2-yloxyphenyl)benzamide
CID 60516646
4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide
CID 60629488
4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide
CID 60628960

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide?
The IUPAC name of 4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide (CID 60698538) is 4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide?
The canonical SMILES for 4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide is Nc1ccc(C(=O)Nc2cc(F)cc(F)c2)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide?
The InChIKey is CFLCPLQHBRSBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3O3/c14-8-4-9(15)6-10(5-8)17-13(19)7-1-2-11(16)12(3-7)18(20)21/h1-6H,16H2,(H,17,19).
What are the key properties of 4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide?
4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide has a molecular weight of 293.23 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide is sourced from PubChem (CID 60698538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).