2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide

C13H9Cl2N3O3 — CID 62152532

IUPAC2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H9Cl2N3O3/c14-7-3-8(15)5-9(4-7)17-13(19)11-6-10(18(20)21)1-2-12(11)16/h1-6H,16H2,(H,17,19)
InChIKeyUKJUTBYYNXUDQS-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.74
Rot. Bonds3

About 2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide

2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide (PubChem CID 62152532) has the molecular formula C13H9Cl2N3O3 and a molecular weight of 326.14 g/mol. Its IUPAC name is 2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide
PubChem CID62152532
Molecular FormulaC13H9Cl2N3O3
Molecular Weight326.14 g/mol
Exact Mass325.00
IUPAC Name2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide
SMILESNc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C13H9Cl2N3O3/c14-7-3-8(15)5-9(4-7)17-13(19)11-6-10(18(20)21)1-2-12(11)16/h1-6H,16H2,(H,17,19)
InChIKeyUKJUTBYYNXUDQS-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-[(3,5-dichlorophenyl)carbamoyl]-4-nitrobenzoic acid
CID 126380677
N-(3-chloro-5-fluorophenyl)-2-iodo-5-nitrobenzamide
CID 103774972
4-amino-N-(3,5-dichlorophenyl)-3-nitrobenzamide
CID 60631186
2-amino-N-(3-bromophenyl)-5-nitrobenzamide
CID 62156590
N-(4-chlorophenyl)-2-fluoro-5-nitrobenzamide
CID 43377429
2-amino-3-chloro-N-(4-chlorophenyl)-5-nitrobenzamide
CID 107199933
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide
CID 102977040
5-chloro-N-(3,5-dichlorophenyl)-2-nitrobenzamide
CID 4556863
5-[(2-chloro-5-nitrobenzoyl)amino]benzene-1,3-dicarboxylic acid
CID 45428362
2-amino-5-fluoro-N-(4-nitrophenyl)benzamide
CID 43245709
2-amino-3-chloro-5-nitro-N-phenylbenzamide
CID 107199870
1-N-(3,5-dichlorophenyl)-4-nitrobenzene-1,2-diamine
CID 55079880

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide?
The IUPAC name of 2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide (CID 62152532) is 2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide?
The canonical SMILES for 2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide is Nc1ccc([N+](=O)[O-])cc1C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide?
The InChIKey is UKJUTBYYNXUDQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3/c14-7-3-8(15)5-9(4-7)17-13(19)11-6-10(18(20)21)1-2-12(11)16/h1-6H,16H2,(H,17,19).
What are the key properties of 2-amino-N-(3,5-dichlorophenyl)-5-nitrobenzamide?
2-amino-N-(3,5-dichlorophenyl)-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-N-(3,5-dichlorophenyl)-5-nitrobenzamide is sourced from PubChem (CID 62152532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).