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

C13H9Cl2N3O3 — CID 63110257

IUPAC2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H9Cl2N3O3/c14-7-1-3-9(11(16)5-7)13(19)17-8-2-4-10(15)12(6-8)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyWDEKCTCKPSBKNX-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.74
Rot. Bonds3

About 2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide

2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide (PubChem CID 63110257) has the molecular formula C13H9Cl2N3O3 and a molecular weight of 326.14 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
PubChem CID63110257
Molecular FormulaC13H9Cl2N3O3
Molecular Weight326.14 g/mol
Exact Mass325.00
IUPAC Name2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C13H9Cl2N3O3/c14-7-1-3-9(11(16)5-7)13(19)17-8-2-4-10(15)12(6-8)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyWDEKCTCKPSBKNX-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

2-amino-N-(4-chloro-3-nitrophenyl)-4-fluorobenzamide
CID 63110248
2-bromo-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide
CID 103763477
4-[(2-amino-4-chlorobenzoyl)amino]-2-chlorobenzamide
CID 62057564
N-(4-chloro-3-nitrophenyl)-2,5-dimethylbenzamide
CID 55363553
N-(4-chloro-3-nitrophenyl)-2-iodobenzamide
CID 3343277
2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 43168358
2,4-dichloro-N-[3-[(2,4-dichlorobenzoyl)amino]-4-nitrophenyl]benzamide
CID 2850372
2-chloro-N-(4-chloro-3-nitrophenyl)-3,5-dinitrobenzamide
CID 4626962
2-amino-N-(4-bromo-2-nitrophenyl)-4-chlorobenzamide
CID 63110574
4-chloro-N-(4-fluoro-3-nitrophenyl)-2-iodobenzamide
CID 38926215
N-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide
CID 107812142
2-chloro-4,5-difluoro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 26696948

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide (CID 63110257) is 2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide is Nc1cc(Cl)ccc1C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of 2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide?
The InChIKey is WDEKCTCKPSBKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3/c14-7-1-3-9(11(16)5-7)13(19)17-8-2-4-10(15)12(6-8)18(20)21/h1-6H,16H2,(H,17,19).
What are the key properties of 2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide?
2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide 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 2-amino-4-chloro-N-(4-chloro-3-nitrophenyl)benzamide is sourced from PubChem (CID 63110257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).