N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide

C27H22N4O5 — CID 4942017

IUPACN-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C27H22N4O5/c32-26(18-36-23-16-14-22(15-17-23)31(34)35)30-25-9-5-4-8-24(25)27(33)29-21-12-10-20(11-13-21)28-19-6-2-1-3-7-19/h1-17,28H,18H2,(H,29,33)(H,30,32)
InChIKeyZJKJJGOBNQNWAZ-UHFFFAOYSA-N
MW482.50 g/mol
LogP5.61
Rot. Bonds9

About N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide

N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide (PubChem CID 4942017) has the molecular formula C27H22N4O5 and a molecular weight of 482.50 g/mol. Its IUPAC name is N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
PubChem CID4942017
Molecular FormulaC27H22N4O5
Molecular Weight482.50 g/mol
Exact Mass482.16
IUPAC NameN-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
SMILESO=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C27H22N4O5/c32-26(18-36-23-16-14-22(15-17-23)31(34)35)30-25-9-5-4-8-24(25)27(33)29-21-12-10-20(11-13-21)28-19-6-2-1-3-7-19/h1-17,28H,18H2,(H,29,33)(H,30,32)
InChIKeyZJKJJGOBNQNWAZ-UHFFFAOYSA-N
XLogP5.61
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.50
LogP ≤ 55.61
H-Bond Donors ≤ 53
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'}

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Related Compounds

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2-(4-nitrophenoxy)-N-phenylacetamide
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2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide
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2-[[2-(4-nitrophenoxy)acetyl]amino]-N-propan-2-ylbenzamide
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N-(2-benzoylphenyl)-2-(4-nitrophenoxy)acetamide
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2-(4-nitrophenoxy)-N-(4-nitrophenyl)acetamide
CID 4501442
N-(4-nitrophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 3114321
2-chloro-N-[3-[[2-(4-nitrophenoxy)acetyl]amino]phenyl]benzamide
CID 1326900
4-[2-(4-nitroanilino)-2-oxoethoxy]-N-(4-nitrophenyl)benzamide
CID 10646566
2-(4-nitrophenoxy)-N'-phenylacetohydrazide
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N-(2-methylphenyl)-2-(4-nitrophenoxy)acetamide
CID 2787243

Frequently Asked Questions

What is the IUPAC name of N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide?
The IUPAC name of N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide (CID 4942017) is N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide.
What is the SMILES notation for N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide?
The canonical SMILES for N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide is O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1.
What is the InChIKey of N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide?
The InChIKey is ZJKJJGOBNQNWAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O5/c32-26(18-36-23-16-14-22(15-17-23)31(34)35)30-25-9-5-4-8-24(25)27(33)29-21-12-10-20(11-13-21)28-19-6-2-1-3-7-19/h1-17,28H,18H2,(H,29,33)(H,30,32).
What are the key properties of N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide?
N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide has a molecular weight of 482.50 g/mol, XLogP of 5.61, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilinophenyl)-2-[[2-(4-nitrophenoxy)acetyl]amino]benzamide is sourced from PubChem (CID 4942017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).