N-benzyl-2-methyl-3-nitro-N-(2-phenylethyl)benzamide

C23H22N2O3 — CID 24819434

IUPACN-benzyl-2-methyl-3-nitro-N-(2-phenylethyl)benzamide
SMILESCc1c(C(=O)N(CCc2ccccc2)Cc2ccccc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C23H22N2O3/c1-18-21(13-8-14-22(18)25(27)28)23(26)24(17-20-11-6-3-7-12-20)16-15-19-9-4-2-5-10-19/h2-14H,15-17H2,1H3
InChIKeyLAZASOWXFCNILK-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.79
Rot. Bonds7

About N-benzyl-2-methyl-3-nitro-N-(2-phenylethyl)benzamide

N-benzyl-2-methyl-3-nitro-N-(2-phenylethyl)benzamide (PubChem CID 24819434) has the molecular formula C23H22N2O3 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-benzyl-2-methyl-3-nitro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound NameN-benzyl-2-methyl-3-nitro-N-(2-phenylethyl)benzamide
PubChem CID24819434
Molecular FormulaC23H22N2O3
Molecular Weight374.44 g/mol
Exact Mass374.16
IUPAC NameN-benzyl-2-methyl-3-nitro-N-(2-phenylethyl)benzamide
SMILESCc1c(C(=O)N(CCc2ccccc2)Cc2ccccc2)cccc1[N+](=O)[O-]
InChIInChI=1S/C23H22N2O3/c1-18-21(13-8-14-22(18)25(27)28)23(26)24(17-20-11-6-3-7-12-20)16-15-19-9-4-2-5-10-19/h2-14H,15-17H2,1H3
InChIKeyLAZASOWXFCNILK-UHFFFAOYSA-N
XLogP4.79
TPSA63.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.79
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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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methyl-3-nitro-N-(2-phenylethyl)benzamide?
The IUPAC name of N-benzyl-2-methyl-3-nitro-N-(2-phenylethyl)benzamide (CID 24819434) is N-benzyl-2-methyl-3-nitro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for N-benzyl-2-methyl-3-nitro-N-(2-phenylethyl)benzamide?
The canonical SMILES for N-benzyl-2-methyl-3-nitro-N-(2-phenylethyl)benzamide is Cc1c(C(=O)N(CCc2ccccc2)Cc2ccccc2)cccc1[N+](=O)[O-].
What is the InChIKey of N-benzyl-2-methyl-3-nitro-N-(2-phenylethyl)benzamide?
The InChIKey is LAZASOWXFCNILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O3/c1-18-21(13-8-14-22(18)25(27)28)23(26)24(17-20-11-6-3-7-12-20)16-15-19-9-4-2-5-10-19/h2-14H,15-17H2,1H3.
What are the key properties of N-benzyl-2-methyl-3-nitro-N-(2-phenylethyl)benzamide?
N-benzyl-2-methyl-3-nitro-N-(2-phenylethyl)benzamide has a molecular weight of 374.44 g/mol, XLogP of 4.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methyl-3-nitro-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 24819434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).