N-(2-formylphenyl)-4-nitrobenzamide

C14H10N2O4 — CID 142750157

IUPACN-(2-formylphenyl)-4-nitrobenzamide
SMILESO=Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N2O4/c17-9-11-3-1-2-4-13(11)15-14(18)10-5-7-12(8-6-10)16(19)20/h1-9H,(H,15,18)
InChIKeyLOYLTKPKTNFTAW-UHFFFAOYSA-N
MW270.24 g/mol
LogP2.66
Rot. Bonds4

About N-(2-formylphenyl)-4-nitrobenzamide

N-(2-formylphenyl)-4-nitrobenzamide (PubChem CID 142750157) has the molecular formula C14H10N2O4 and a molecular weight of 270.24 g/mol. Its IUPAC name is N-(2-formylphenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(2-formylphenyl)-4-nitrobenzamide
PubChem CID142750157
Molecular FormulaC14H10N2O4
Molecular Weight270.24 g/mol
Exact Mass270.06
IUPAC NameN-(2-formylphenyl)-4-nitrobenzamide
SMILESO=Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C14H10N2O4/c17-9-11-3-1-2-4-13(11)15-14(18)10-5-7-12(8-6-10)16(19)20/h1-9H,(H,15,18)
InChIKeyLOYLTKPKTNFTAW-UHFFFAOYSA-N
XLogP2.66
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 52.66
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-(2-acetamidophenyl)-4-nitrobenzamide
CID 3737317
N-[2-(bromomethyl)phenyl]-4-nitrobenzamide
CID 114309682
N-(2-formylphenyl)-4-methoxybenzamide
CID 585595
methyl 7-[2-[(4-nitrobenzoyl)amino]phenyl]hept-6-enoate
CID 70069502
5-[[3-formyl-4-[(4-nitrobenzoyl)amino]phenyl]methyl]-2-[(4-nitrobenzoyl)amino]benzoic acid
CID 89242162
4-chloro-N-[2-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126001785
N-[2-(3,3-dimethylbut-1-ynyl)phenyl]-4-nitrobenzamide
CID 52912285
4-nitro-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 788210
3-nitro-N-[2-[(3-nitrobenzoyl)amino]phenyl]benzamide
CID 4118809
(4-nitrophenyl)-phenylmethanone;oxaldehydic acid
CID 175307297
N-formyl-4-nitrobenzamide
CID 12550339
2-methyl-3-[(4-nitrobenzoyl)amino]benzoic acid
CID 28671223

Frequently Asked Questions

What is the IUPAC name of N-(2-formylphenyl)-4-nitrobenzamide?
The IUPAC name of N-(2-formylphenyl)-4-nitrobenzamide (CID 142750157) is N-(2-formylphenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(2-formylphenyl)-4-nitrobenzamide?
The canonical SMILES for N-(2-formylphenyl)-4-nitrobenzamide is O=Cc1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-formylphenyl)-4-nitrobenzamide?
The InChIKey is LOYLTKPKTNFTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O4/c17-9-11-3-1-2-4-13(11)15-14(18)10-5-7-12(8-6-10)16(19)20/h1-9H,(H,15,18).
What are the key properties of N-(2-formylphenyl)-4-nitrobenzamide?
N-(2-formylphenyl)-4-nitrobenzamide has a molecular weight of 270.24 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-formylphenyl)-4-nitrobenzamide is sourced from PubChem (CID 142750157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).