3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide

C15H14N2O4 — CID 4992628

IUPAC3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1
InChIInChI=1S/C15H14N2O4/c1-10-8-12(17(19)20)6-7-14(10)16-15(18)11-4-3-5-13(9-11)21-2/h3-9H,1-2H3,(H,16,18)
InChIKeyQYLOOHJUCPQSPA-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.16
Rot. Bonds4

About 3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide

3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide (PubChem CID 4992628) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide
PubChem CID4992628
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide
SMILESCOc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1
InChIInChI=1S/C15H14N2O4/c1-10-8-12(17(19)20)6-7-14(10)16-15(18)11-4-3-5-13(9-11)21-2/h3-9H,1-2H3,(H,16,18)
InChIKeyQYLOOHJUCPQSPA-UHFFFAOYSA-N
XLogP3.16
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.16
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

3-methoxy-N-[3-[1-(2-methyl-4-nitroanilino)-1-oxobutan-2-yl]sulfanylphenyl]benzamide
CID 18903426
1-N,3-N-bis(2-methoxy-4-nitrophenyl)benzene-1,3-dicarboxamide
CID 4588723
N-(2-acetamido-5-methoxyphenyl)-3-nitrobenzamide
CID 51092432
[3-[(2-methoxy-4-nitrophenyl)carbamoyl]phenyl] acetate
CID 108767397
N-(2-methylphenyl)-3-(4-nitrophenoxy)benzamide
CID 2989529
N-(2-methyl-4-nitrophenyl)-4-(2-phenoxyethoxy)benzamide
CID 4952704
N-(4-benzamido-3-methylphenyl)-3-methoxybenzamide
CID 1365764
N-[(2-bromo-4-nitrophenyl)carbamothioyl]-3-methoxybenzamide
CID 22775551
N-[(2-methyl-4-nitrophenyl)carbamothioyl]-3-phenylmethoxybenzamide
CID 22777619
3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 2913893
N-(3-methoxyphenyl)-2-[methyl-[2-(2-methyl-4-nitroanilino)-2-oxoethyl]amino]acetamide
CID 9198763
3-bromo-4-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 107951971

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide?
The IUPAC name of 3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide (CID 4992628) is 3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide.
What is the SMILES notation for 3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide?
The canonical SMILES for 3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide is COc1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C)c1.
What is the InChIKey of 3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide?
The InChIKey is QYLOOHJUCPQSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-10-8-12(17(19)20)6-7-14(10)16-15(18)11-4-3-5-13(9-11)21-2/h3-9H,1-2H3,(H,16,18).
What are the key properties of 3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide?
3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide has a molecular weight of 286.29 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-(2-methyl-4-nitrophenyl)benzamide is sourced from PubChem (CID 4992628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).