3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide

C21H17N3O4 — CID 1309584

IUPAC3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C21H17N3O4/c1-14-10-11-18(24(27)28)13-19(14)23-21(26)16-8-5-9-17(12-16)22-20(25)15-6-3-2-4-7-15/h2-13H,1H3,(H,22,25)(H,23,26)
InChIKeyWVVPXVOZKXLWHD-UHFFFAOYSA-N
MW375.38 g/mol
LogP4.41
Rot. Bonds5

About 3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide

3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide (PubChem CID 1309584) has the molecular formula C21H17N3O4 and a molecular weight of 375.38 g/mol. Its IUPAC name is 3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide
PubChem CID1309584
Molecular FormulaC21H17N3O4
Molecular Weight375.38 g/mol
Exact Mass375.12
IUPAC Name3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide
SMILESCc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1
InChIInChI=1S/C21H17N3O4/c1-14-10-11-18(24(27)28)13-19(14)23-21(26)16-8-5-9-17(12-16)22-20(25)15-6-3-2-4-7-15/h2-13H,1H3,(H,22,25)(H,23,26)
InChIKeyWVVPXVOZKXLWHD-UHFFFAOYSA-N
XLogP4.41
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 54.41
H-Bond Donors ≤ 52
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-benzamido-N-(2-fluoro-5-nitrophenyl)benzamide
CID 1300799
N-(4-benzamido-3-methylphenyl)-3-nitrobenzamide
CID 3697987
N-[4-methyl-3-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4607530
3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
CID 55633368
3-[(4-nitrobenzoyl)amino]-N-(3-nitrophenyl)benzamide
CID 17259456
2-[(3-methylbenzoyl)amino]-N-(2-methyl-5-nitrophenyl)benzamide
CID 78794488
N-[3-[2-(2-methyl-5-nitroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-3-nitrobenzamide
CID 18905227
3-nitro-N-[3-[(3-nitrobenzoyl)amino]phenyl]benzamide;hydrate
CID 45052608
3-(2,4-dinitroanilino)-N-(2-methylphenyl)benzamide
CID 3098044
4-fluoro-N-(2-methyl-5-nitrophenyl)benzamide
CID 797390
N-(2-acetyl-5-nitrophenyl)benzamide
CID 154214171
N-(3,4-dimethylphenyl)-2-[(3-nitrobenzoyl)amino]benzamide
CID 4944387

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide?
The IUPAC name of 3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide (CID 1309584) is 3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide.
What is the SMILES notation for 3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide?
The canonical SMILES for 3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide is Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NC(=O)c2ccccc2)c1.
What is the InChIKey of 3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide?
The InChIKey is WVVPXVOZKXLWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4/c1-14-10-11-18(24(27)28)13-19(14)23-21(26)16-8-5-9-17(12-16)22-20(25)15-6-3-2-4-7-15/h2-13H,1H3,(H,22,25)(H,23,26).
What are the key properties of 3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide?
3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide has a molecular weight of 375.38 g/mol, XLogP of 4.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide is sourced from PubChem (CID 1309584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).