3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide

C22H19N3O4 — CID 55633368

IUPAC3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C22H19N3O4/c1-14-8-10-17(12-19(14)24-21(26)16-6-4-3-5-7-16)22(27)23-18-11-9-15(2)20(13-18)25(28)29/h3-13H,1-2H3,(H,23,27)(H,24,26)
InChIKeyCNPHXIHKNBQPCC-UHFFFAOYSA-N
MW389.41 g/mol
LogP4.72
Rot. Bonds5

About 3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide

3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide (PubChem CID 55633368) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide.

Molecular Properties

Compound Name3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
PubChem CID55633368
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide
SMILESCc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1
InChIInChI=1S/C22H19N3O4/c1-14-8-10-17(12-19(14)24-21(26)16-6-4-3-5-7-16)22(27)23-18-11-9-15(2)20(13-18)25(28)29/h3-13H,1-2H3,(H,23,27)(H,24,26)
InChIKeyCNPHXIHKNBQPCC-UHFFFAOYSA-N
XLogP4.72
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 54.72
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

4-acetamido-N-(4-methyl-3-nitrophenyl)benzamide
CID 78783914
3-benzamido-N-(2-methyl-5-nitrophenyl)benzamide
CID 1309584
N-(4-methyl-3-nitrophenyl)-3-sulfanylbenzamide
CID 107021737
N-(4-methyl-3-nitrophenyl)-4-(phenylsulfamoyl)benzamide
CID 26576093
N-[4-methyl-3-[(4-nitrobenzoyl)amino]phenyl]-4-nitrobenzamide
CID 4607530
N-(2,5-dimethylphenyl)-4-methyl-3-nitrobenzamide
CID 711333
4-bromo-N-(4-methyl-3-nitrophenyl)-3-nitrobenzamide
CID 26575484
N-(5-acetamido-2-methylphenyl)-4-anilino-3-nitrobenzamide
CID 55691880
N-(2-benzoylphenyl)-4-methyl-3-nitrobenzamide
CID 99997717
3-(dimethylamino)-N-(4-methyl-3-nitrophenyl)benzamide
CID 22057965
N-(3-iodophenyl)-4-methyl-3-nitrobenzamide
CID 18076816
N-[4-[(3-chlorobenzoyl)amino]phenyl]-4-methyl-3-nitrobenzamide
CID 3765376

Frequently Asked Questions

What is the IUPAC name of 3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide?
The IUPAC name of 3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide (CID 55633368) is 3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide.
What is the SMILES notation for 3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide?
The canonical SMILES for 3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide is Cc1ccc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1.
What is the InChIKey of 3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide?
The InChIKey is CNPHXIHKNBQPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c1-14-8-10-17(12-19(14)24-21(26)16-6-4-3-5-7-16)22(27)23-18-11-9-15(2)20(13-18)25(28)29/h3-13H,1-2H3,(H,23,27)(H,24,26).
What are the key properties of 3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide?
3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide has a molecular weight of 389.41 g/mol, XLogP of 4.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzamido-4-methyl-N-(4-methyl-3-nitrophenyl)benzamide is sourced from PubChem (CID 55633368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).