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

C13H9Cl2N3O3 — CID 60629488

IUPAC4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide
SMILESNc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9Cl2N3O3/c14-8-2-3-9(15)11(6-8)17-13(19)7-1-4-10(16)12(5-7)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyYFACKYSWKCODGN-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.74
Rot. Bonds3

About 4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide

4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide (PubChem CID 60629488) has the molecular formula C13H9Cl2N3O3 and a molecular weight of 326.14 g/mol. Its IUPAC name is 4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide
PubChem CID60629488
Molecular FormulaC13H9Cl2N3O3
Molecular Weight326.14 g/mol
Exact Mass325.00
IUPAC Name4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide
SMILESNc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C13H9Cl2N3O3/c14-8-2-3-9(15)11(6-8)17-13(19)7-1-4-10(16)12(5-7)18(20)21/h1-6H,16H2,(H,17,19)
InChIKeyYFACKYSWKCODGN-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

4-amino-N-(5-chloro-2-methylphenyl)-3-nitrobenzamide
CID 7551668
4-amino-N-(3,5-dichlorophenyl)-3-nitrobenzamide
CID 60631186
4-(cyclopropylamino)-N-(2,5-dichlorophenyl)-3-nitrobenzamide
CID 55335047
4-amino-N-(3-chloro-2-fluorophenyl)-3-nitrobenzamide
CID 60628960
4-amino-N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 25140841
3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 43708411
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
CID 102504215
N-(5-bromo-2-chlorophenyl)-4-chloro-3-nitrobenzamide
CID 62908558
4-amino-N-(3,5-difluorophenyl)-3-nitrobenzamide
CID 60698538
4-amino-N-(2,4-dibromophenyl)-3-nitrobenzamide
CID 60628101
4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide
CID 103094802

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide?
The IUPAC name of 4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide (CID 60629488) is 4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide?
The canonical SMILES for 4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide is Nc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide?
The InChIKey is YFACKYSWKCODGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3/c14-8-2-3-9(15)11(6-8)17-13(19)7-1-4-10(16)12(5-7)18(20)21/h1-6H,16H2,(H,17,19).
What are the key properties of 4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide?
4-amino-N-(2,5-dichlorophenyl)-3-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 4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide is sourced from PubChem (CID 60629488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).