3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide

C13H9Cl2N3O3 — CID 43708411

IUPAC3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
SMILESNc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2N3O3/c14-9-3-1-7(5-11(9)16)13(19)17-12-6-8(18(20)21)2-4-10(12)15/h1-6H,16H2,(H,17,19)
InChIKeyBETAHVDWGRXIEM-UHFFFAOYSA-N
MW326.14 g/mol
LogP3.74
Rot. Bonds3

About 3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide

3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide (PubChem CID 43708411) has the molecular formula C13H9Cl2N3O3 and a molecular weight of 326.14 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
PubChem CID43708411
Molecular FormulaC13H9Cl2N3O3
Molecular Weight326.14 g/mol
Exact Mass325.00
IUPAC Name3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
SMILESNc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Cl
InChIInChI=1S/C13H9Cl2N3O3/c14-9-3-1-7(5-11(9)16)13(19)17-12-6-8(18(20)21)2-4-10(12)15/h1-6H,16H2,(H,17,19)
InChIKeyBETAHVDWGRXIEM-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-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 720125
N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
CID 867680
N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
CID 5222418
4-amino-N-(2,5-dichlorophenyl)-3-nitrobenzamide
CID 60629488
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
CID 17102145
N-(2-chloro-5-nitrophenyl)-2,3,4,5,6-pentafluorobenzamide
CID 3483393
3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide
CID 92647267
3-amino-4-chloro-N-(2-chloro-5-fluorophenyl)benzamide
CID 107526592
N-(5-bromo-2-chlorophenyl)-4-nitrobenzamide
CID 62908932
N-(5-acetamido-2-chlorophenyl)-4-nitrobenzamide
CID 47064408
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-nitrobenzamide
CID 3582375
2-amino-N-(2-chloro-5-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 62786667

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide?
The IUPAC name of 3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide (CID 43708411) is 3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide?
The canonical SMILES for 3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide is Nc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Cl.
What is the InChIKey of 3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide?
The InChIKey is BETAHVDWGRXIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3O3/c14-9-3-1-7(5-11(9)16)13(19)17-12-6-8(18(20)21)2-4-10(12)15/h1-6H,16H2,(H,17,19).
What are the key properties of 3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide?
3-amino-4-chloro-N-(2-chloro-5-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 3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide is sourced from PubChem (CID 43708411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).