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

C22H19N3O4 — CID 1267964

IUPAC2-benzamido-4-nitro-N-(2-phenylethyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1C(=O)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H19N3O4/c26-21(17-9-5-2-6-10-17)24-20-15-18(25(28)29)11-12-19(20)22(27)23-14-13-16-7-3-1-4-8-16/h1-12,15H,13-14H2,(H,23,27)(H,24,26)
InChIKeyLQPPWQNNNIWEDG-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.82
Rot. Bonds7

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

2-benzamido-4-nitro-N-(2-phenylethyl)benzamide (PubChem CID 1267964) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-benzamido-4-nitro-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-benzamido-4-nitro-N-(2-phenylethyl)benzamide
PubChem CID1267964
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC Name2-benzamido-4-nitro-N-(2-phenylethyl)benzamide
SMILESO=C(Nc1cc([N+](=O)[O-])ccc1C(=O)NCCc1ccccc1)c1ccccc1
InChIInChI=1S/C22H19N3O4/c26-21(17-9-5-2-6-10-17)24-20-15-18(25(28)29)11-12-19(20)22(27)23-14-13-16-7-3-1-4-8-16/h1-12,15H,13-14H2,(H,23,27)(H,24,26)
InChIKeyLQPPWQNNNIWEDG-UHFFFAOYSA-N
XLogP3.82
TPSA101.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-acetyl-5-nitrophenyl)benzamide
CID 154214171
2-chloro-N-[2-[2-(4-fluorophenyl)ethylcarbamoyl]phenyl]-4-nitrobenzamide
CID 26549686
4-nitro-2-(2-phenylethylamino)benzoic acid
CID 24749556
2,4-dinitro-N-(4-phenylbutyl)benzamide
CID 5161239
3-benzamido-4-methyl-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 46410067
N-(2-benzamidoethyl)-2-hydroxy-5-nitrobenzamide
CID 72707126
2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 1312543
5-nitro-N-[2-(2-phenylethylcarbamoyl)phenyl]furan-2-carboxamide
CID 51148461
N-(2-methoxyethyl)-2-[(4-nitrobenzoyl)amino]benzamide
CID 2208926
3-nitro-N-[2-(2-phenylethoxy)phenyl]benzamide
CID 55674920
N-benzyl-5-iodo-2-[(4-nitrobenzoyl)amino]benzamide
CID 66556358
4-nitro-2-(pyridine-4-carbonylamino)benzoic acid
CID 63111000

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-4-nitro-N-(2-phenylethyl)benzamide?
The IUPAC name of 2-benzamido-4-nitro-N-(2-phenylethyl)benzamide (CID 1267964) is 2-benzamido-4-nitro-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 2-benzamido-4-nitro-N-(2-phenylethyl)benzamide?
The canonical SMILES for 2-benzamido-4-nitro-N-(2-phenylethyl)benzamide is O=C(Nc1cc([N+](=O)[O-])ccc1C(=O)NCCc1ccccc1)c1ccccc1.
What is the InChIKey of 2-benzamido-4-nitro-N-(2-phenylethyl)benzamide?
The InChIKey is LQPPWQNNNIWEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c26-21(17-9-5-2-6-10-17)24-20-15-18(25(28)29)11-12-19(20)22(27)23-14-13-16-7-3-1-4-8-16/h1-12,15H,13-14H2,(H,23,27)(H,24,26).
What are the key properties of 2-benzamido-4-nitro-N-(2-phenylethyl)benzamide?
2-benzamido-4-nitro-N-(2-phenylethyl)benzamide has a molecular weight of 389.41 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-4-nitro-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 1267964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).