N-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide

C23H22N4O5 — CID 18266904

IUPACN-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C23H22N4O5/c1-15-7-12-18(27(30)31)13-20(15)24-14-22(28)25-17-10-8-16(9-11-17)23(29)26-19-5-3-4-6-21(19)32-2/h3-13,24H,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyIPHQBDQVOKCCTK-UHFFFAOYSA-N
MW434.45 g/mol
LogP4.21
Rot. Bonds8

About N-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide

N-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide (PubChem CID 18266904) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide
PubChem CID18266904
Molecular FormulaC23H22N4O5
Molecular Weight434.45 g/mol
Exact Mass434.16
IUPAC NameN-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2C)cc1
InChIInChI=1S/C23H22N4O5/c1-15-7-12-18(27(30)31)13-20(15)24-14-22(28)25-17-10-8-16(9-11-17)23(29)26-19-5-3-4-6-21(19)32-2/h3-13,24H,14H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyIPHQBDQVOKCCTK-UHFFFAOYSA-N
XLogP4.21
TPSA122.60 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.45
LogP ≤ 54.21
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-(2-hydroxyethylamino)-5-nitroanilino]-N-(2-methoxyphenyl)acetamide
CID 9104576
4-(butanoylamino)-N-(2-methoxy-5-nitrophenyl)benzamide
CID 2162625
4-benzamido-N-(2-methoxy-4-nitrophenyl)benzamide
CID 17153277
N-(2-methoxyphenyl)-2-(3-nitroanilino)acetamide
CID 9081418
4-(butanoylamino)-N-(2-methoxy-4-nitrophenyl)benzamide
CID 2952481
N-[3-[(2-methoxy-5-nitrophenyl)methylamino]-4-methylphenyl]benzamide
CID 60536198
N-[3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylphenyl]propanamide
CID 87029088
N-ethyl-4-[[2-(2-methoxyanilino)acetyl]amino]benzamide
CID 54817444
methyl 3-[[2-(2-methoxyanilino)-2-oxoethyl]amino]-4-methylbenzoate
CID 17425229
2-(2,3-dimethylanilino)-N-(2-methoxy-5-nitrophenyl)acetamide
CID 9080810
N-[4-(cyanomethyl)phenyl]-2-(2-methoxy-5-nitroanilino)acetamide
CID 26505664
4-[[2-[2-(3-fluorophenoxy)anilino]acetyl]amino]-N-(2-methoxyphenyl)benzamide
CID 55989473

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide?
The IUPAC name of N-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide (CID 18266904) is N-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide.
What is the SMILES notation for N-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide?
The canonical SMILES for N-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide is COc1ccccc1NC(=O)c1ccc(NC(=O)CNc2cc([N+](=O)[O-])ccc2C)cc1.
What is the InChIKey of N-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide?
The InChIKey is IPHQBDQVOKCCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-15-7-12-18(27(30)31)13-20(15)24-14-22(28)25-17-10-8-16(9-11-17)23(29)26-19-5-3-4-6-21(19)32-2/h3-13,24H,14H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of N-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide?
N-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide has a molecular weight of 434.45 g/mol, XLogP of 4.21, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-[[2-(2-methyl-5-nitroanilino)acetyl]amino]benzamide is sourced from PubChem (CID 18266904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).