N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide

C22H20N4O5 — CID 31983699

IUPACN-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
SMILESCOc1ccc(NC(=O)CNc2ccccc2NC(=O)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C22H20N4O5/c1-31-16-11-12-19(20(13-16)26(29)30)24-21(27)14-23-17-9-5-6-10-18(17)25-22(28)15-7-3-2-4-8-15/h2-13,23H,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyJFMPJNYXSKUZOZ-UHFFFAOYSA-N
MW420.43 g/mol
LogP3.91
Rot. Bonds8

About N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide

N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide (PubChem CID 31983699) has the molecular formula C22H20N4O5 and a molecular weight of 420.43 g/mol. Its IUPAC name is N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide.

Molecular Properties

Compound NameN-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
PubChem CID31983699
Molecular FormulaC22H20N4O5
Molecular Weight420.43 g/mol
Exact Mass420.14
IUPAC NameN-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
SMILESCOc1ccc(NC(=O)CNc2ccccc2NC(=O)c2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C22H20N4O5/c1-31-16-11-12-19(20(13-16)26(29)30)24-21(27)14-23-17-9-5-6-10-18(17)25-22(28)15-7-3-2-4-8-15/h2-13,23H,14H2,1H3,(H,24,27)(H,25,28)
InChIKeyJFMPJNYXSKUZOZ-UHFFFAOYSA-N
XLogP3.91
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 53.91
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

2-(2-acetylanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9103856
N-(4-methoxy-2-nitrophenyl)-2-(2-phenylsulfanylanilino)acetamide
CID 24583260
4-bromo-N-(4-methoxy-2-nitrophenyl)benzamide
CID 2828426
N-(4-methoxy-2-nitrophenyl)-2-phenylacetamide
CID 3101369
2-(4-iodoanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 4806528
2-(2-chloro-4-fluoroanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 9099548
2-(2-methoxyanilino)-N-(4-methyl-2-nitrophenyl)acetamide
CID 26416386
2-(5-acetamido-2-methoxyanilino)-N-(4-methoxy-2-nitrophenyl)acetamide
CID 42068751
N-[2-(2-nitro-4-propoxyanilino)-2-oxoethyl]benzamide
CID 110493019
N-(4-methoxy-2-nitrophenyl)-3-(phenylsulfamoyl)benzamide
CID 19257356
[2-(4-methoxy-2-nitroanilino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 42012447
N-[4-methyl-3-[[2-(4-methyl-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide
CID 55897358

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide?
The IUPAC name of N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide (CID 31983699) is N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide.
What is the SMILES notation for N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide?
The canonical SMILES for N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide is COc1ccc(NC(=O)CNc2ccccc2NC(=O)c2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide?
The InChIKey is JFMPJNYXSKUZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O5/c1-31-16-11-12-19(20(13-16)26(29)30)24-21(27)14-23-17-9-5-6-10-18(17)25-22(28)15-7-3-2-4-8-15/h2-13,23H,14H2,1H3,(H,24,27)(H,25,28).
What are the key properties of N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide?
N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide has a molecular weight of 420.43 g/mol, XLogP of 3.91, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]amino]phenyl]benzamide is sourced from PubChem (CID 31983699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).