N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide

C21H18N2O3 — CID 8798028

IUPACN-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide
SMILESCc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1
InChIInChI=1S/C21H18N2O3/c1-15-7-9-17(10-8-15)20(16-5-3-2-4-6-16)22-21(24)18-11-13-19(14-12-18)23(25)26/h2-14,20H,1H3,(H,22,24)/t20-/m1/s1
InChIKeyZBSACSIJCJWDFX-HXUWFJFHSA-N
MW346.39 g/mol
LogP4.42
Rot. Bonds5

About N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide

N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide (PubChem CID 8798028) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide.

Molecular Properties

Compound NameN-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide
PubChem CID8798028
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC NameN-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide
SMILESCc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1
InChIInChI=1S/C21H18N2O3/c1-15-7-9-17(10-8-15)20(16-5-3-2-4-6-16)22-21(24)18-11-13-19(14-12-18)23(25)26/h2-14,20H,1H3,(H,22,24)/t20-/m1/s1
InChIKeyZBSACSIJCJWDFX-HXUWFJFHSA-N
XLogP4.42
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.42
H-Bond Donors ≤ 51
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'}

Analyze N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzhydryl-4-nitrobenzamide
CID 676068
N-[(4-methylphenyl)-phenylmethyl]-3-nitrobenzamide
CID 43886300
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
2-(4-methylphenyl)-3-(4-nitrophenyl)-1,4-diphenylbutane-1,4-dione
CID 122386072
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-(phenylsulfanylmethyl)benzamide
CID 28632234
dimethyl-[(2S)-2-[(4-nitrobenzoyl)amino]-2-phenylethyl]azanium
CID 8936075
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(4-methylphenyl)-phenylmethyl]benzamide
CID 132617346
N-[(2R)-3-methylbutan-2-yl]-4-nitrobenzamide
CID 92515236
N-[(S)-(4-methylphenyl)-pyridin-3-ylmethyl]benzamide
CID 92500168
diphenylmethanone;1-methyl-4-nitrobenzene
CID 160968328
N-[(S)-(4-methylphenyl)-phenylmethyl]-4-piperidin-1-ylbenzamide
CID 28635742

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide?
The IUPAC name of N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide (CID 8798028) is N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide.
What is the SMILES notation for N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide?
The canonical SMILES for N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide is Cc1ccc([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1.
What is the InChIKey of N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide?
The InChIKey is ZBSACSIJCJWDFX-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H18N2O3/c1-15-7-9-17(10-8-15)20(16-5-3-2-4-6-16)22-21(24)18-11-13-19(14-12-18)23(25)26/h2-14,20H,1H3,(H,22,24)/t20-/m1/s1.
What are the key properties of N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide?
N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide has a molecular weight of 346.39 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-methylphenyl)-phenylmethyl]-4-nitrobenzamide is sourced from PubChem (CID 8798028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).