4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide

C34H26N4O6 — CID 5091426

IUPAC4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide
SMILESCC(c1ccccc1)(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C34H26N4O6/c1-34(25-5-3-2-4-6-25,26-11-15-28(16-12-26)35-32(39)23-7-19-30(20-8-23)37(41)42)27-13-17-29(18-14-27)36-33(40)24-9-21-31(22-10-24)38(43)44/h2-22H,1H3,(H,35,39)(H,36,40)
InChIKeyBACUEXAYEZZPAL-UHFFFAOYSA-N
MW586.60 g/mol
LogP7.36
Rot. Bonds9

About 4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide

4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide (PubChem CID 5091426) has the molecular formula C34H26N4O6 and a molecular weight of 586.60 g/mol. Its IUPAC name is 4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide.

Molecular Properties

Compound Name4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide
PubChem CID5091426
Molecular FormulaC34H26N4O6
Molecular Weight586.60 g/mol
Exact Mass586.19
IUPAC Name4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide
SMILESCC(c1ccccc1)(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C34H26N4O6/c1-34(25-5-3-2-4-6-25,26-11-15-28(16-12-26)35-32(39)23-7-19-30(20-8-23)37(41)42)27-13-17-29(18-14-27)36-33(40)24-9-21-31(22-10-24)38(43)44/h2-22H,1H3,(H,35,39)(H,36,40)
InChIKeyBACUEXAYEZZPAL-UHFFFAOYSA-N
XLogP7.36
TPSA144.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500586.60
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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4-(ethylamino)-N-(4-nitrophenyl)benzamide
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4-[(4-nitrobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
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4-(4-nitrophenoxy)-N-phenylbenzamide
CID 2977930
4-benzamido-N-[1-(4-nitrophenyl)ethylideneamino]benzamide
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N-(4-methoxyphenyl)-4-nitrobenzamide
CID 532159
N,N-dimethyl-4-[(4-nitrobenzoyl)amino]benzamide
CID 4824063
4-[(4-nitrobenzoyl)amino]-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 7372197
N-[4-[(1-methylpyridin-1-ium-4-yl)amino]phenyl]-4-nitrobenzamide
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1-(4-nitrophenyl)-3-[4-(2-oxo-2-phenylacetyl)phenyl]urea
CID 3126804
[2-(4-benzamidophenyl)-2-oxoethyl] 4-nitrobenzoate
CID 5209942

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide?
The IUPAC name of 4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide (CID 5091426) is 4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide.
What is the SMILES notation for 4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide?
The canonical SMILES for 4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide is CC(c1ccccc1)(c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide?
The InChIKey is BACUEXAYEZZPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N4O6/c1-34(25-5-3-2-4-6-25,26-11-15-28(16-12-26)35-32(39)23-7-19-30(20-8-23)37(41)42)27-13-17-29(18-14-27)36-33(40)24-9-21-31(22-10-24)38(43)44/h2-22H,1H3,(H,35,39)(H,36,40).
What are the key properties of 4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide?
4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide has a molecular weight of 586.60 g/mol, XLogP of 7.36, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-[4-[1-[4-[(4-nitrobenzoyl)amino]phenyl]-1-phenylethyl]phenyl]benzamide is sourced from PubChem (CID 5091426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).