3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide

C13H9Cl2N3O3 — CID 62680652

IUPAC3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide
SMILESNc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H9Cl2N3O3/c14-9-3-2-8(6-10(9)15)17-13(19)7-1-4-12(18(20)21)11(16)5-7/h1-6H,16H2,(H,17,19)
InChIKeyORNHVYIXMNVHCW-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.74
Rot. Bonds3

About 3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide

3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide (PubChem CID 62680652) has the molecular formula C13H9Cl2N3O3 and a molecular weight of 326.14 g/mol. Its IUPAC name is 3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide.

Molecular Properties

Compound Name3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide
PubChem CID62680652
Molecular FormulaC13H9Cl2N3O3
Molecular Weight326.14 g/mol
Exact Mass325.00
IUPAC Name3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide
SMILESNc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H9Cl2N3O3/c14-9-3-2-8(6-10(9)15)17-13(19)7-1-4-12(18(20)21)11(16)5-7/h1-6H,16H2,(H,17,19)
InChIKeyORNHVYIXMNVHCW-UHFFFAOYSA-N
XLogP3.74
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.14
LogP ≤ 53.74
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-(3,4-dichlorophenyl)-3-fluoro-4-nitrobenzamide
CID 62680379
3-amino-4-nitro-N-pyridin-4-ylbenzamide
CID 62681915
3-amino-N-(4-fluorophenyl)-4-nitrobenzamide
CID 62681564
3-bromo-4-chloro-N-(3-chloro-4-nitrophenyl)benzamide
CID 107999621
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281
N-(3-amino-4-nitrophenyl)benzamide
CID 3685591
2-N,5-N-bis(3-chloro-4-nitrophenyl)pyridine-2,5-dicarboxamide
CID 4294395
N-(4-bromo-3-chlorophenyl)-3-chloro-4-nitrobenzamide
CID 107619731
4-amino-N-(3,4-dichlorophenyl)-3-hydroxybenzamide
CID 107073884
2-amino-N-(4-chloro-3-nitrophenyl)pyridine-4-carboxamide
CID 107812124
3-amino-4-bromo-N-(3-fluoro-4-nitrophenyl)benzamide
CID 107813287
3-bromo-4-chloro-N-(3-fluoro-4-nitrophenyl)benzamide
CID 103852321

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide?
The IUPAC name of 3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide (CID 62680652) is 3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide.
What is the SMILES notation for 3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide?
The canonical SMILES for 3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide is Nc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide?
The InChIKey is ORNHVYIXMNVHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3/c14-9-3-2-8(6-10(9)15)17-13(19)7-1-4-12(18(20)21)11(16)5-7/h1-6H,16H2,(H,17,19).
What are the key properties of 3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide?
3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide has a molecular weight of 326.14 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,4-dichlorophenyl)-4-nitrobenzamide is sourced from PubChem (CID 62680652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).