N-(3,3-diphenylpropyl)-2-methyl-3-nitrobenzamide

C23H22N2O3 — CID 4257835

IUPACN-(3,3-diphenylpropyl)-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)NCCC(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C23H22N2O3/c1-17-20(13-8-14-22(17)25(27)28)23(26)24-16-15-21(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,21H,15-16H2,1H3,(H,24,26)
InChIKeyLIOHOPIPSZWLPS-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.86
Rot. Bonds7

About N-(3,3-diphenylpropyl)-2-methyl-3-nitrobenzamide

N-(3,3-diphenylpropyl)-2-methyl-3-nitrobenzamide (PubChem CID 4257835) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(3,3-diphenylpropyl)-2-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(3,3-diphenylpropyl)-2-methyl-3-nitrobenzamide
PubChem CID4257835
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-(3,3-diphenylpropyl)-2-methyl-3-nitrobenzamide
SMILESCc1c(C(=O)NCCC(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C23H22N2O3/c1-17-20(13-8-14-22(17)25(27)28)23(26)24-16-15-21(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,21H,15-16H2,1H3,(H,24,26)
InChIKeyLIOHOPIPSZWLPS-UHFFFAOYSA-N
XLogP4.86
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.86
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'}

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Related Compounds

2-methyl-N-[[(2-methyl-3-nitrobenzoyl)amino]methyl]-3-nitrobenzamide
CID 134843322
N-benzyl-2-methyl-3-nitrobenzamide
CID 710984
N-(4-bromopentyl)-2-methyl-3-nitrobenzamide
CID 106130405
N-(3-methoxypropyl)-2-methyl-3-nitrobenzamide
CID 2223736
N-(4-aminobutyl)-2-methyl-3-nitrobenzamide
CID 60895227
2-hydroxy-3-[(2-methyl-3-nitrobenzoyl)amino]propanoic acid
CID 66167701
2-methyl-3-nitro-N-nonylbenzamide
CID 4171333
2-methyl-3-nitro-N-[(E)-pent-3-enyl]benzamide
CID 115628231
N-(6-aminohexyl)-2-methyl-3-nitrobenzamide
CID 108786358
N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]-2-methyl-3-nitrobenzamide
CID 121133079
N-(3-ethoxypropyl)-2-methyl-3-nitrobenzamide
CID 2172330
methyl 6-[(2-methyl-3-nitrobenzoyl)amino]hexanoate
CID 31541051

Frequently Asked Questions

What is the IUPAC name of N-(3,3-diphenylpropyl)-2-methyl-3-nitrobenzamide?
The IUPAC name of N-(3,3-diphenylpropyl)-2-methyl-3-nitrobenzamide (CID 4257835) is N-(3,3-diphenylpropyl)-2-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(3,3-diphenylpropyl)-2-methyl-3-nitrobenzamide?
The canonical SMILES for N-(3,3-diphenylpropyl)-2-methyl-3-nitrobenzamide is Cc1c(C(=O)NCCC(c2ccccc2)c2ccccc2)cccc1[N+](=O)[O-].
What is the InChIKey of N-(3,3-diphenylpropyl)-2-methyl-3-nitrobenzamide?
The InChIKey is LIOHOPIPSZWLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-17-20(13-8-14-22(17)25(27)28)23(26)24-16-15-21(18-9-4-2-5-10-18)19-11-6-3-7-12-19/h2-14,21H,15-16H2,1H3,(H,24,26).
What are the key properties of N-(3,3-diphenylpropyl)-2-methyl-3-nitrobenzamide?
N-(3,3-diphenylpropyl)-2-methyl-3-nitrobenzamide has a molecular weight of 374.44 g/mol, XLogP of 4.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-diphenylpropyl)-2-methyl-3-nitrobenzamide is sourced from PubChem (CID 4257835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).