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

C21H18N2O3 — CID 19165535

IUPACN-benzyl-4-methyl-N-(3-nitrophenyl)benzamide
SMILESCc1ccc(C(=O)N(Cc2ccccc2)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C21H18N2O3/c1-16-10-12-18(13-11-16)21(24)22(15-17-6-3-2-4-7-17)19-8-5-9-20(14-19)23(25)26/h2-14H,15H2,1H3
InChIKeyHSKLSILRENEFQM-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.75
Rot. Bonds5

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

N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide (PubChem CID 19165535) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-methyl-N-(3-nitrophenyl)benzamide
PubChem CID19165535
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-benzyl-4-methyl-N-(3-nitrophenyl)benzamide
SMILESCc1ccc(C(=O)N(Cc2ccccc2)c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C21H18N2O3/c1-16-10-12-18(13-11-16)21(24)22(15-17-6-3-2-4-7-17)19-8-5-9-20(14-19)23(25)26/h2-14H,15H2,1H3
InChIKeyHSKLSILRENEFQM-UHFFFAOYSA-N
XLogP4.75
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methylphenyl)methyl]-4-nitro-N-[3-[2-oxo-2-(propylamino)ethyl]phenyl]benzamide
CID 46057145
2-(N-benzoyl-3-nitroanilino)acetic acid
CID 14484971
N-[(4-methylphenyl)methyl]-4-nitro-N-[3-[2-oxo-2-(2-pyrrolidin-1-ylethylamino)ethyl]phenyl]benzamide
CID 46057130
N-[3-[2-(3-fluoroanilino)-2-oxoethyl]phenyl]-N-[(4-methylphenyl)methyl]-4-nitrobenzamide
CID 42859630
N-benzyl-2-(1,3-dioxoisoindol-2-yl)-N-(3-nitrophenyl)acetamide
CID 1177159
N-benzyl-2-(5-methyl-2-propan-2-ylphenoxy)-N-(3-nitrophenyl)acetamide
CID 19165497
N-benzyl-4-methyl-N-[3-[2-oxo-2-[[(1S)-1-phenylethyl]amino]ethyl]phenyl]benzamide
CID 93333842
2,4-dichloro-N-[(3-nitrophenyl)methyl]-N-phenylbenzamide
CID 19164974
N-benzyl-3-nitro-N-pyridin-2-ylbenzamide
CID 799327
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-4-nitro-N-phenylbenzamide
CID 1424779
N-benzyl-3,5-difluoro-N-(4-methylphenyl)benzamide
CID 22830347
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-N-(3-methylphenyl)-3-nitrobenzamide
CID 17096449

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide?
The IUPAC name of N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide (CID 19165535) is N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide.
What is the SMILES notation for N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide?
The canonical SMILES for N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide is Cc1ccc(C(=O)N(Cc2ccccc2)c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide?
The InChIKey is HSKLSILRENEFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-16-10-12-18(13-11-16)21(24)22(15-17-6-3-2-4-7-17)19-8-5-9-20(14-19)23(25)26/h2-14H,15H2,1H3.
What are the key properties of N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide?
N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide has a molecular weight of 346.39 g/mol, XLogP of 4.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-methyl-N-(3-nitrophenyl)benzamide is sourced from PubChem (CID 19165535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).