2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide

C21H19N3O3 — CID 139822137

IUPAC2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide
SMILESNc1cc([N+](=O)[O-])ccc1C(=O)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19N3O3/c22-20-13-17(24(26)27)11-12-18(20)21(25)23-14-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,19H,14,22H2,(H,23,25)
InChIKeyLFLYNRFWFIDUAB-UHFFFAOYSA-N
MW361.40 g/mol
LogP3.74
Rot. Bonds6

About 2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide

2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide (PubChem CID 139822137) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide
PubChem CID139822137
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide
SMILESNc1cc([N+](=O)[O-])ccc1C(=O)NCC(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H19N3O3/c22-20-13-17(24(26)27)11-12-18(20)21(25)23-14-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,19H,14,22H2,(H,23,25)
InChIKeyLFLYNRFWFIDUAB-UHFFFAOYSA-N
XLogP3.74
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-ethyl-4-nitrobenzamide
CID 71534016
2-amino-4-nitrobenzohydrazide
CID 3575645
2-amino-N-(benzylcarbamothioyl)-4-nitrobenzamide
CID 139228065
[2-(benzhydrylamino)-2-oxoethyl] 2-amino-4-nitrobenzoate
CID 7149083
2-amino-N-[(4-chlorophenyl)methyl]-4-nitrobenzamide
CID 67362358
2-(methylamino)-5-nitro-N-[(2S)-2-phenylpropyl]benzamide
CID 27017917
2-(2-amino-4-nitroanilino)-1-phenylethanol
CID 62508279
2-amino-N-[(3,4-difluorophenyl)methyl]-4-nitrobenzamide
CID 68813120
2-(dimethylamino)-5-nitro-N-(2-phenylpropyl)benzamide
CID 42997705
2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 43498535
2-fluoro-N-(3-hydroxy-3-phenylpropyl)-4-nitrobenzamide
CID 111472014
N-(2-amino-2-phenylethyl)-2-nitrobenzamide
CID 63120393

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide?
The IUPAC name of 2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide (CID 139822137) is 2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide?
The canonical SMILES for 2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide is Nc1cc([N+](=O)[O-])ccc1C(=O)NCC(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide?
The InChIKey is LFLYNRFWFIDUAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c22-20-13-17(24(26)27)11-12-18(20)21(25)23-14-19(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-13,19H,14,22H2,(H,23,25).
What are the key properties of 2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide?
2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide has a molecular weight of 361.40 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-diphenylethyl)-4-nitrobenzamide is sourced from PubChem (CID 139822137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).