N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide

C22H19N3O4 — CID 3656947

IUPACN-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H19N3O4/c26-21(14-16-10-12-18(13-11-16)25(28)29)24-20-9-5-4-8-19(20)22(27)23-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,23,27)(H,24,26)
InChIKeyBYPPHTNESIVZJO-UHFFFAOYSA-N
MW389.41 g/mol
LogP3.71
Rot. Bonds7

About N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide

N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide (PubChem CID 3656947) has the molecular formula C22H19N3O4 and a molecular weight of 389.41 g/mol. Its IUPAC name is N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide
PubChem CID3656947
Molecular FormulaC22H19N3O4
Molecular Weight389.41 g/mol
Exact Mass389.14
IUPAC NameN-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide
SMILESO=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NCc1ccccc1
InChIInChI=1S/C22H19N3O4/c26-21(14-16-10-12-18(13-11-16)25(28)29)24-20-9-5-4-8-19(20)22(27)23-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,23,27)(H,24,26)
InChIKeyBYPPHTNESIVZJO-UHFFFAOYSA-N
XLogP3.71
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 ≤ 53.71
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

2-[[2-[N-(benzenesulfonyl)-4-nitroanilino]acetyl]amino]-N-benzylbenzamide
CID 126035787
2-iodo-N-[(4-nitrophenyl)methyl]benzamide
CID 47311873
N-(2-nitrophenyl)-2-(4-nitrophenyl)acetamide
CID 3300746
2-[[2-[(4-nitrophenyl)methylsulfanyl]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 1312543
N-[2-(benzylcarbamoyl)phenyl]-2-methyl-3,5-dinitrobenzamide
CID 17256776
2-[(2-phenylacetyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 2986089
N-benzyl-5-iodo-2-[(4-nitrobenzoyl)amino]benzamide
CID 66556358
2-[[2-[(2-chloro-5-nitrophenyl)methyl-methylamino]acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 16961179
N-[(4-methylphenyl)methyl]-2-[(4-nitrophenyl)sulfonylamino]benzamide
CID 17319797
2-[[2-(4-nitrophenyl)acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 60589058
N-benzyl-2-[[2-[(2-nitro-3-pyridinyl)oxy]acetyl]amino]benzamide
CID 8651047
N-benzyl-2-[[2-(2,5-dimethylphenyl)acetyl]amino]benzamide
CID 92646177

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide?
The IUPAC name of N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide (CID 3656947) is N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide.
What is the SMILES notation for N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide?
The canonical SMILES for N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide is O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide?
The InChIKey is BYPPHTNESIVZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O4/c26-21(14-16-10-12-18(13-11-16)25(28)29)24-20-9-5-4-8-19(20)22(27)23-15-17-6-2-1-3-7-17/h1-13H,14-15H2,(H,23,27)(H,24,26).
What are the key properties of N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide?
N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide has a molecular weight of 389.41 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[[2-(4-nitrophenyl)acetyl]amino]benzamide is sourced from PubChem (CID 3656947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).