2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide

C13H9Cl2N3O3 — CID 107199933

IUPAC2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide
SMILESNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H9Cl2N3O3/c14-7-1-3-8(4-2-7)17-13(19)10-5-9(18(20)21)6-11(15)12(10)16/h1-6H,16H2,(H,17,19)
InChIKeyWBIWAABMLLSGBW-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.74
Rot. Bonds3

About 2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide

2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide (PubChem CID 107199933) has the molecular formula C13H9Cl2N3O3 and a molecular weight of 326.14 g/mol. Its IUPAC name is 2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide
PubChem CID107199933
Molecular FormulaC13H9Cl2N3O3
Molecular Weight326.14 g/mol
Exact Mass325.00
IUPAC Name2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide
SMILESNc1c(Cl)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H9Cl2N3O3/c14-7-1-3-8(4-2-7)17-13(19)10-5-9(18(20)21)6-11(15)12(10)16/h1-6H,16H2,(H,17,19)
InChIKeyWBIWAABMLLSGBW-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-3-chloro-5-nitro-N-phenylbenzamide
CID 107199870
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
2-amino-3-chloro-N-methyl-5-nitrobenzamide
CID 107199890
2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide
CID 62152532
2-amino-3-chloro-5-nitro-N-pyrazin-2-ylbenzamide
CID 107200117
2-amino-5-chloro-N-(4-chlorophenyl)benzamide
CID 4186019
3-chloro-2-hydroxy-5-nitro-N-phenylbenzamide
CID 57352159
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
2-amino-3-chloro-N-(1H-imidazol-2-yl)-5-nitrobenzamide
CID 107200538
N-(4-chlorophenyl)-3,5-dinitro-2-(4-sulfamoylanilino)benzamide
CID 3918311
2-amino-3-chloro-N-cyclobutyl-5-nitrobenzamide
CID 107200431
N-(4-carbamoylphenyl)-2-chloro-4-nitrobenzamide
CID 819437

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide?
The IUPAC name of 2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide (CID 107199933) is 2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide?
The canonical SMILES for 2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide is Nc1c(Cl)cc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide?
The InChIKey is WBIWAABMLLSGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3/c14-7-1-3-8(4-2-7)17-13(19)10-5-9(18(20)21)6-11(15)12(10)16/h1-6H,16H2,(H,17,19).
What are the key properties of 2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide?
2-amino-3-chloro-N-(4-chlorophenyl)-5-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 2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide is sourced from PubChem (CID 107199933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).