N-benzyl-4-nitro-N-(2-phenylethyl)benzamide

C22H20N2O3 — CID 26881227

IUPACN-benzyl-4-nitro-N-(2-phenylethyl)benzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H20N2O3/c25-22(20-11-13-21(14-12-20)24(26)27)23(17-19-9-5-2-6-10-19)16-15-18-7-3-1-4-8-18/h1-14H,15-17H2
InChIKeyJCDVDIHIZSIPDJ-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.48
Rot. Bonds7

About N-benzyl-4-nitro-N-(2-phenylethyl)benzamide

N-benzyl-4-nitro-N-(2-phenylethyl)benzamide (PubChem CID 26881227) has the molecular formula C22H20N2O3 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-benzyl-4-nitro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-4-nitro-N-(2-phenylethyl)benzamide
PubChem CID26881227
Molecular FormulaC22H20N2O3
Molecular Weight360.41 g/mol
Exact Mass360.15
IUPAC NameN-benzyl-4-nitro-N-(2-phenylethyl)benzamide
SMILESO=C(c1ccc([N+](=O)[O-])cc1)N(CCc1ccccc1)Cc1ccccc1
InChIInChI=1S/C22H20N2O3/c25-22(20-11-13-21(14-12-20)24(26)27)23(17-19-9-5-2-6-10-19)16-15-18-7-3-1-4-8-18/h1-14H,15-17H2
InChIKeyJCDVDIHIZSIPDJ-UHFFFAOYSA-N
XLogP4.48
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.48
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

4-nitro-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084464
2-[4-[[(4-nitrobenzoyl)-(2-phenylethyl)amino]methyl]phenyl]benzoic acid
CID 66773989
N-[(4-methoxyphenyl)methyl]-N-[2-(4-nitrophenyl)ethyl]benzamide
CID 10938001
N,N-dibenzyl-2-(4-nitrophenyl)ethanamine
CID 11057117
nitro N-benzyl-N-(2-phenylethyl)carbamate
CID 175602568
N-benzyl-N-[(1-benzylpyrrol-2-yl)methyl]-4-nitrobenzamide
CID 42763101
N-benzyl-6-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide
CID 113234599
ethyl N-[2-(4-nitrophenyl)ethyl]-N-[(4-nitrophenyl)methyl]carbamate
CID 118047998
N-benzyl-2-(3-cyano-5-nitro-2-oxo-1-pyridinyl)-N-(2-phenylethyl)acetamide
CID 8632262
tert-butyl N-benzyl-N-(4-nitrobenzoyl)carbamate
CID 10450911
N-benzyl-N-[(4-nitrophenyl)methyl]-1-phenylmethanamine
CID 23507092
N-ethyl-4-nitro-N-propylbenzamide
CID 91720925

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-nitro-N-(2-phenylethyl)benzamide?
The IUPAC name of N-benzyl-4-nitro-N-(2-phenylethyl)benzamide (CID 26881227) is N-benzyl-4-nitro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-benzyl-4-nitro-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-benzyl-4-nitro-N-(2-phenylethyl)benzamide is O=C(c1ccc([N+](=O)[O-])cc1)N(CCc1ccccc1)Cc1ccccc1.
What is the InChIKey of N-benzyl-4-nitro-N-(2-phenylethyl)benzamide?
The InChIKey is JCDVDIHIZSIPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3/c25-22(20-11-13-21(14-12-20)24(26)27)23(17-19-9-5-2-6-10-19)16-15-18-7-3-1-4-8-18/h1-14H,15-17H2.
What are the key properties of N-benzyl-4-nitro-N-(2-phenylethyl)benzamide?
N-benzyl-4-nitro-N-(2-phenylethyl)benzamide has a molecular weight of 360.41 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-nitro-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 26881227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).