3-chloro-N-(4-formylphenyl)-5-nitrobenzamide

C14H9ClN2O4 — CID 106912140

IUPAC3-chloro-N-(4-formylphenyl)-5-nitrobenzamide
SMILESO=Cc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H9ClN2O4/c15-11-5-10(6-13(7-11)17(20)21)14(19)16-12-3-1-9(8-18)2-4-12/h1-8H,(H,16,19)
InChIKeyOCUSDJNQSIFKNX-UHFFFAOYSA-N
MW304.69 g/mol
LogP3.31
Rot. Bonds4

About 3-chloro-N-(4-formylphenyl)-5-nitrobenzamide

3-chloro-N-(4-formylphenyl)-5-nitrobenzamide (PubChem CID 106912140) has the molecular formula C14H9ClN2O4 and a molecular weight of 304.69 g/mol. Its IUPAC name is 3-chloro-N-(4-formylphenyl)-5-nitrobenzamide.

Molecular Properties

Compound Name3-chloro-N-(4-formylphenyl)-5-nitrobenzamide
PubChem CID106912140
Molecular FormulaC14H9ClN2O4
Molecular Weight304.69 g/mol
Exact Mass304.03
IUPAC Name3-chloro-N-(4-formylphenyl)-5-nitrobenzamide
SMILESO=Cc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H9ClN2O4/c15-11-5-10(6-13(7-11)17(20)21)14(19)16-12-3-1-9(8-18)2-4-12/h1-8H,(H,16,19)
InChIKeyOCUSDJNQSIFKNX-UHFFFAOYSA-N
XLogP3.31
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.69
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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

N-(4-methylphenyl)-3,5-dinitrobenzamide
CID 3094563
methyl 3-[(4-chlorophenyl)carbamoyl]-5-nitrobenzoate
CID 690575
N-(3-bromo-5-methylphenyl)-3-chloro-5-nitrobenzamide
CID 107583778
5-nitro-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
CID 632339
N-[4-(methylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 26906332
3,5-dinitro-N-(2,4,6-trichlorophenyl)benzamide
CID 3457149
3,5-dinitro-N-[4-(trifluoromethyl)phenyl]benzamide
CID 9097997
3,5-dichloro-N-(4-chlorophenyl)benzamide
CID 3382216
N-[4-(dimethylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 17231135
3-chloro-N-[2-(chloromethyl)phenyl]-5-nitrobenzamide
CID 114298509
N-(3,4-dimethylphenyl)-3,5-dinitrobenzamide
CID 5181913
3,5-dichloro-N-(4-fluoro-3-nitrophenyl)benzamide
CID 3323861

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-formylphenyl)-5-nitrobenzamide?
The IUPAC name of 3-chloro-N-(4-formylphenyl)-5-nitrobenzamide (CID 106912140) is 3-chloro-N-(4-formylphenyl)-5-nitrobenzamide.
What is the SMILES notation for 3-chloro-N-(4-formylphenyl)-5-nitrobenzamide?
The canonical SMILES for 3-chloro-N-(4-formylphenyl)-5-nitrobenzamide is O=Cc1ccc(NC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 3-chloro-N-(4-formylphenyl)-5-nitrobenzamide?
The InChIKey is OCUSDJNQSIFKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2O4/c15-11-5-10(6-13(7-11)17(20)21)14(19)16-12-3-1-9(8-18)2-4-12/h1-8H,(H,16,19).
What are the key properties of 3-chloro-N-(4-formylphenyl)-5-nitrobenzamide?
3-chloro-N-(4-formylphenyl)-5-nitrobenzamide has a molecular weight of 304.69 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-formylphenyl)-5-nitrobenzamide is sourced from PubChem (CID 106912140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).