2-nitro-N-[4-(1-phenylethylamino)phenyl]benzamide

C21H19N3O3 — CID 55986151

IUPAC2-nitro-N-[4-(1-phenylethylamino)phenyl]benzamide
SMILESCC(Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C21H19N3O3/c1-15(16-7-3-2-4-8-16)22-17-11-13-18(14-12-17)23-21(25)19-9-5-6-10-20(19)24(26)27/h2-15,22H,1H3,(H,23,25)
InChIKeyGPECYWFKWOCDDU-UHFFFAOYSA-N
MW361.40 g/mol
LogP5.02
Rot. Bonds6

About 2-nitro-N-[4-(1-phenylethylamino)phenyl]benzamide

2-nitro-N-[4-(1-phenylethylamino)phenyl]benzamide (PubChem CID 55986151) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-nitro-N-[4-(1-phenylethylamino)phenyl]benzamide.

Molecular Properties

Compound Name2-nitro-N-[4-(1-phenylethylamino)phenyl]benzamide
PubChem CID55986151
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name2-nitro-N-[4-(1-phenylethylamino)phenyl]benzamide
SMILESCC(Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1
InChIInChI=1S/C21H19N3O3/c1-15(16-7-3-2-4-8-16)22-17-11-13-18(14-12-17)23-21(25)19-9-5-6-10-20(19)24(26)27/h2-15,22H,1H3,(H,23,25)
InChIKeyGPECYWFKWOCDDU-UHFFFAOYSA-N
XLogP5.02
TPSA84.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.40
LogP ≤ 55.02
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-nitro-N-(4-phenylphenyl)benzamide
CID 3096329
2-(2-nitrophenoxy)-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55986783
2-nitro-N-[4-[4-[(2-nitrobenzoyl)amino]phenoxy]phenyl]benzamide
CID 2832157
N-[4-(2-methylpropoxy)phenyl]-2-nitrobenzamide
CID 4940473
2-nitro-N-(1-phenylethylcarbamothioyl)benzamide
CID 3494931
N-(4-formylphenyl)-2-nitrobenzamide
CID 25179247
2-nitro-N-pyridin-4-ylbenzamide
CID 766646
2-nitro-N-[3-[(2-nitrobenzoyl)amino]phenyl]benzamide
CID 4524835
2-nitro-N-[(2R)-2-phenylpropyl]benzamide
CID 679490
N-(4-ethoxyphenyl)-2-nitrobenzamide
CID 711444
2,5-dimethyl-N-[4-(1-phenylethylamino)phenyl]benzamide
CID 55986155
2-carboxy-4-[(2-nitrobenzoyl)amino]phenolate
CID 54714318

Frequently Asked Questions

What is the IUPAC name of 2-nitro-N-[4-(1-phenylethylamino)phenyl]benzamide?
The IUPAC name of 2-nitro-N-[4-(1-phenylethylamino)phenyl]benzamide (CID 55986151) is 2-nitro-N-[4-(1-phenylethylamino)phenyl]benzamide.
What is the SMILES notation for 2-nitro-N-[4-(1-phenylethylamino)phenyl]benzamide?
The canonical SMILES for 2-nitro-N-[4-(1-phenylethylamino)phenyl]benzamide is CC(Nc1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1)c1ccccc1.
What is the InChIKey of 2-nitro-N-[4-(1-phenylethylamino)phenyl]benzamide?
The InChIKey is GPECYWFKWOCDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-15(16-7-3-2-4-8-16)22-17-11-13-18(14-12-17)23-21(25)19-9-5-6-10-20(19)24(26)27/h2-15,22H,1H3,(H,23,25).
What are the key properties of 2-nitro-N-[4-(1-phenylethylamino)phenyl]benzamide?
2-nitro-N-[4-(1-phenylethylamino)phenyl]benzamide has a molecular weight of 361.40 g/mol, XLogP of 5.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-N-[4-(1-phenylethylamino)phenyl]benzamide is sourced from PubChem (CID 55986151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).