4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide

C14H10ClN3O6 — CID 3101370

IUPAC4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10ClN3O6/c1-24-9-3-5-11(13(7-9)18(22)23)16-14(19)8-2-4-10(15)12(6-8)17(20)21/h2-7H,1H3,(H,16,19)
InChIKeyXBCJWOZDLUHQIS-UHFFFAOYSA-N
MW351.70 g/mol
LogP3.42
Rot. Bonds5

About 4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide

4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide (PubChem CID 3101370) has the molecular formula C14H10ClN3O6 and a molecular weight of 351.70 g/mol. Its IUPAC name is 4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide.

Molecular Properties

Compound Name4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
PubChem CID3101370
Molecular FormulaC14H10ClN3O6
Molecular Weight351.70 g/mol
Exact Mass351.03
IUPAC Name4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H10ClN3O6/c1-24-9-3-5-11(13(7-9)18(22)23)16-14(19)8-2-4-10(15)12(6-8)17(20)21/h2-7H,1H3,(H,16,19)
InChIKeyXBCJWOZDLUHQIS-UHFFFAOYSA-N
XLogP3.42
TPSA124.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.70
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2828426
2-chloro-N-(4-methoxy-2-nitrophenyl)benzamide
CID 3101364
2-(4-chloro-3-nitrobenzoyl)-N-(2,4-dimethoxyphenyl)benzamide
CID 2558490
N-(4-methoxy-2-nitrophenyl)-3-methylsulfanylbenzamide
CID 7565243
2-N,6-N-bis(4-methoxy-2-nitrophenyl)pyridine-2,6-dicarboxamide
CID 3620305
4-chloro-N-[2-(4-methoxyphenoxy)-5-(trifluoromethyl)phenyl]-3-nitrobenzamide
CID 1340542
methyl 3-[(4-chloro-3-nitrobenzoyl)amino]-4-methylbenzoate
CID 1122289
4-chloro-N-(2-chloro-5-methylphenyl)-3-nitrobenzamide
CID 102504215
N-(5-acetamido-2-methoxyphenyl)-4-chloro-3-nitrobenzamide
CID 26243257
3,5-ditert-butyl-4-hydroxy-N-(4-methoxy-2-nitrophenyl)benzamide
CID 23370079
4-methoxy-N-(2-nitro-4-propoxyphenyl)benzamide
CID 110492988
4-chloro-N-[4-[(4-chloro-3-nitrobenzoyl)amino]phenyl]-3-nitrobenzamide
CID 3385281

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide?
The IUPAC name of 4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide (CID 3101370) is 4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide.
What is the SMILES notation for 4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide?
The canonical SMILES for 4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide is COc1ccc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide?
The InChIKey is XBCJWOZDLUHQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O6/c1-24-9-3-5-11(13(7-9)18(22)23)16-14(19)8-2-4-10(15)12(6-8)17(20)21/h2-7H,1H3,(H,16,19).
What are the key properties of 4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide?
4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide has a molecular weight of 351.70 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-methoxy-2-nitrophenyl)-3-nitrobenzamide is sourced from PubChem (CID 3101370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).