N-(4-methoxyphenyl)-4-nitrobenzamide

C14H12N2O4 — CID 532159

IUPACN-(4-methoxyphenyl)-4-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H12N2O4/c1-20-13-8-4-11(5-9-13)15-14(17)10-2-6-12(7-3-10)16(18)19/h2-9H,1H3,(H,15,17)
InChIKeyNARGSXJDVYTGBN-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.86
Rot. Bonds4

About N-(4-methoxyphenyl)-4-nitrobenzamide

N-(4-methoxyphenyl)-4-nitrobenzamide (PubChem CID 532159) has the molecular formula C14H12N2O4 and a molecular weight of 272.26 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-nitrobenzamide
PubChem CID532159
Molecular FormulaC14H12N2O4
Molecular Weight272.26 g/mol
Exact Mass272.08
IUPAC NameN-(4-methoxyphenyl)-4-nitrobenzamide
SMILESCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C14H12N2O4/c1-20-13-8-4-11(5-9-13)15-14(17)10-2-6-12(7-3-10)16(18)19/h2-9H,1H3,(H,15,17)
InChIKeyNARGSXJDVYTGBN-UHFFFAOYSA-N
XLogP2.86
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[4-[1-(4-methoxyphenyl)-1-oxopropan-2-yl]oxyphenyl]-4-nitrobenzamide
CID 19645248
2-chloro-N-[4-[(4-methoxyphenyl)carbamoyl]phenyl]-5-nitrobenzamide
CID 26252770
4-methoxy-N-[4-[1-(4-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]benzamide
CID 22782674
1-(4-methoxyphenyl)-3-(4-nitrophenyl)thiourea
CID 13237599
4-(4-nitrophenoxy)-N-phenylbenzamide
CID 2977930
4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
2-hydroxy-5-methoxy-N-(4-nitrophenyl)benzamide
CID 10968180
N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide
CID 7478754
4-methoxy-N-(2-methoxy-5-nitrophenyl)benzamide
CID 871212
methyl 4-[(4-methoxyphenyl)carbamoyl]benzoate
CID 7733773
4-(2,2-dimethylpropanoylamino)-N-(4-nitrophenyl)benzamide
CID 2866891
4-(ethylamino)-N-(4-nitrophenyl)benzamide
CID 62165605

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-nitrobenzamide?
The IUPAC name of N-(4-methoxyphenyl)-4-nitrobenzamide (CID 532159) is N-(4-methoxyphenyl)-4-nitrobenzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-nitrobenzamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-nitrobenzamide is COc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-nitrobenzamide?
The InChIKey is NARGSXJDVYTGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O4/c1-20-13-8-4-11(5-9-13)15-14(17)10-2-6-12(7-3-10)16(18)19/h2-9H,1H3,(H,15,17).
What are the key properties of N-(4-methoxyphenyl)-4-nitrobenzamide?
N-(4-methoxyphenyl)-4-nitrobenzamide has a molecular weight of 272.26 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-nitrobenzamide is sourced from PubChem (CID 532159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).