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

C13H8Cl2N2O3 — CID 720125

IUPAC4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl2N2O3/c14-9-3-1-8(2-4-9)13(18)16-12-7-10(17(19)20)5-6-11(12)15/h1-7H,(H,16,18)
InChIKeyYNCSUQIVSHCHMF-UHFFFAOYSA-N
MW311.12 g/mol
LogP4.15
Rot. Bonds3

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

4-chloro-N-(2-chloro-5-nitrophenyl)benzamide (PubChem CID 720125) has the molecular formula C13H8Cl2N2O3 and a molecular weight of 311.12 g/mol. Its IUPAC name is 4-chloro-N-(2-chloro-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
PubChem CID720125
Molecular FormulaC13H8Cl2N2O3
Molecular Weight311.12 g/mol
Exact Mass309.99
IUPAC Name4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C13H8Cl2N2O3/c14-9-3-1-8(2-4-9)13(18)16-12-7-10(17(19)20)5-6-11(12)15/h1-7H,(H,16,18)
InChIKeyYNCSUQIVSHCHMF-UHFFFAOYSA-N
XLogP4.15
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.12
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-5-nitrophenyl)-4-phenylbenzamide
CID 5222418
1-[(4-chlorobenzoyl)amino]-3-(2-chloro-5-nitrophenyl)thiourea
CID 8668718
N-(2-chloro-5-nitrophenyl)-4-ethylbenzamide
CID 17102145
3-amino-4-chloro-N-(2-chloro-5-nitrophenyl)benzamide
CID 43708411
N-(2-chloro-5-nitrophenyl)-3,4-dimethylbenzamide
CID 867680
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
[4-[(2-chloro-5-nitrophenyl)carbamoyl]phenyl] propanoate
CID 17359120
N-(2-chloro-5-nitrophenyl)-2-(4-chlorophenyl)acetamide
CID 4048119
N-(2-chloro-5-nitrophenyl)-4-(piperidin-1-ylmethyl)benzamide
CID 19062952
3-chloro-N-(2-chloro-5-nitrophenyl)-4-(methanesulfonamido)benzamide
CID 92647267

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-chloro-5-nitrophenyl)benzamide?
The IUPAC name of 4-chloro-N-(2-chloro-5-nitrophenyl)benzamide (CID 720125) is 4-chloro-N-(2-chloro-5-nitrophenyl)benzamide.
What is the SMILES notation for 4-chloro-N-(2-chloro-5-nitrophenyl)benzamide?
The canonical SMILES for 4-chloro-N-(2-chloro-5-nitrophenyl)benzamide is O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(2-chloro-5-nitrophenyl)benzamide?
The InChIKey is YNCSUQIVSHCHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O3/c14-9-3-1-8(2-4-9)13(18)16-12-7-10(17(19)20)5-6-11(12)15/h1-7H,(H,16,18).
What are the key properties of 4-chloro-N-(2-chloro-5-nitrophenyl)benzamide?
4-chloro-N-(2-chloro-5-nitrophenyl)benzamide has a molecular weight of 311.12 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-chloro-5-nitrophenyl)benzamide is sourced from PubChem (CID 720125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).