4-[acetyl(pyridin-2-yl)amino]-N-(2-aminophenyl)benzamide;dihydrochloride

C20H20Cl2N4O2 — CID 67398267

IUPAC4-[acetyl(pyridin-2-yl)amino]-N-(2-aminophenyl)benzamide;dihydrochloride
SMILESCC(=O)N(c1ccc(C(=O)Nc2ccccc2N)cc1)c1ccccn1.Cl.Cl
InChIInChI=1S/C20H18N4O2.2ClH/c1-14(25)24(19-8-4-5-13-22-19)16-11-9-15(10-12-16)20(26)23-18-7-3-2-6-17(18)21;;/h2-13H,21H2,1H3,(H,23,26);2*1H
InChIKeyAFPXKYGHMGMGNU-UHFFFAOYSA-N
MW419.31 g/mol
LogP4.44
Rot. Bonds4

About 4-[acetyl(pyridin-2-yl)amino]-N-(2-aminophenyl)benzamide;dihydrochloride

4-[acetyl(pyridin-2-yl)amino]-N-(2-aminophenyl)benzamide;dihydrochloride (PubChem CID 67398267) has the molecular formula C20H20Cl2N4O2 and a molecular weight of 419.31 g/mol. Its IUPAC name is 4-[acetyl(pyridin-2-yl)amino]-N-(2-aminophenyl)benzamide;dihydrochloride.

Molecular Properties

Compound Name4-[acetyl(pyridin-2-yl)amino]-N-(2-aminophenyl)benzamide;dihydrochloride
PubChem CID67398267
Molecular FormulaC20H20Cl2N4O2
Molecular Weight419.31 g/mol
Exact Mass418.10
IUPAC Name4-[acetyl(pyridin-2-yl)amino]-N-(2-aminophenyl)benzamide;dihydrochloride
SMILESCC(=O)N(c1ccc(C(=O)Nc2ccccc2N)cc1)c1ccccn1.Cl.Cl
InChIInChI=1S/C20H18N4O2.2ClH/c1-14(25)24(19-8-4-5-13-22-19)16-11-9-15(10-12-16)20(26)23-18-7-3-2-6-17(18)21;;/h2-13H,21H2,1H3,(H,23,26);2*1H
InChIKeyAFPXKYGHMGMGNU-UHFFFAOYSA-N
XLogP4.44
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide
CID 11417056
methyl N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-N-pyrazin-2-ylcarbamate
CID 68850955
N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide
CID 59376462
N-(2-aminophenyl)-4-[bis(2-chloroethyl)amino]benzamide
CID 141472495
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
pyridin-2-ylmethyl N-[4-[(2-aminophenyl)carbamoyl]phenyl]carbamate
CID 102467936
4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline
CID 160598237
N-(2-aminophenyl)-4-[[formyl-[(2-methyl-3-pyridinyl)methoxy]amino]methyl]benzamide
CID 87384844
5-N-(2-aminophenyl)-2-N-methylpyridine-2,5-dicarboxamide
CID 53245480

Frequently Asked Questions

What is the IUPAC name of 4-[acetyl(pyridin-2-yl)amino]-N-(2-aminophenyl)benzamide;dihydrochloride?
The IUPAC name of 4-[acetyl(pyridin-2-yl)amino]-N-(2-aminophenyl)benzamide;dihydrochloride (CID 67398267) is 4-[acetyl(pyridin-2-yl)amino]-N-(2-aminophenyl)benzamide;dihydrochloride.
What is the SMILES notation for 4-[acetyl(pyridin-2-yl)amino]-N-(2-aminophenyl)benzamide;dihydrochloride?
The canonical SMILES for 4-[acetyl(pyridin-2-yl)amino]-N-(2-aminophenyl)benzamide;dihydrochloride is CC(=O)N(c1ccc(C(=O)Nc2ccccc2N)cc1)c1ccccn1.Cl.Cl.
What is the InChIKey of 4-[acetyl(pyridin-2-yl)amino]-N-(2-aminophenyl)benzamide;dihydrochloride?
The InChIKey is AFPXKYGHMGMGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2.2ClH/c1-14(25)24(19-8-4-5-13-22-19)16-11-9-15(10-12-16)20(26)23-18-7-3-2-6-17(18)21;;/h2-13H,21H2,1H3,(H,23,26);2*1H.
What are the key properties of 4-[acetyl(pyridin-2-yl)amino]-N-(2-aminophenyl)benzamide;dihydrochloride?
4-[acetyl(pyridin-2-yl)amino]-N-(2-aminophenyl)benzamide;dihydrochloride has a molecular weight of 419.31 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[acetyl(pyridin-2-yl)amino]-N-(2-aminophenyl)benzamide;dihydrochloride is sourced from PubChem (CID 67398267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).