N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide

C21H21N3O2 — CID 22478895

IUPACN-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide
SMILESCOc1cccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)c1
InChIInChI=1S/C21H21N3O2/c1-26-18-6-4-5-17(13-18)23-14-15-9-11-16(12-10-15)21(25)24-20-8-3-2-7-19(20)22/h2-13,23H,14,22H2,1H3,(H,24,25)
InChIKeyBIRUSSKLEASCIC-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.14
Rot. Bonds6

About N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide

N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide (PubChem CID 22478895) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide
PubChem CID22478895
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide
SMILESCOc1cccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)c1
InChIInChI=1S/C21H21N3O2/c1-26-18-6-4-5-17(13-18)23-14-15-9-11-16(12-10-15)21(25)24-20-8-3-2-7-19(20)22/h2-13,23H,14,22H2,1H3,(H,24,25)
InChIKeyBIRUSSKLEASCIC-UHFFFAOYSA-N
XLogP4.14
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide
CID 22478761
N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide
CID 22478639
N-(2-aminophenyl)-5-[(3-methoxyphenyl)methylamino]-1-benzofuran-2-carboxamide
CID 58930472
4-(aminomethyl)-N-(3-methoxyphenyl)benzamide
CID 16796099
N-(2-aminophenyl)-4-[[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]amino]methyl]benzamide
CID 155565261
N-(2-aminophenyl)-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide
CID 22478912
N-(2-aminophenyl)-4-[[3-[[5-fluoro-2-[4-(2-methoxyethoxy)anilino]pyrimidin-4-yl]amino]anilino]methyl]benzamide
CID 166068665
N-(2-aminophenyl)-4-[[(2,6-dimethoxypyrimidin-4-yl)amino]methyl]benzamide
CID 22478791
1-N-benzyl-4-N-(3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109046735
4-[[2-amino-4-[(3-methoxyphenyl)methylamino]pyrrolo[2,3-d]pyrimidin-7-yl]methyl]-N-(2-aminophenyl)benzamide
CID 162670161
4-[(3,4-dimethoxyanilino)methyl]-N-(2-hydroxyphenyl)benzamide
CID 10110195
N-[(4-iodophenyl)methyl]-3-methoxyaniline
CID 65478997

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide (CID 22478895) is N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide is COc1cccc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)c1.
What is the InChIKey of N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide?
The InChIKey is BIRUSSKLEASCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-18-6-4-5-17(13-18)23-14-15-9-11-16(12-10-15)21(25)24-20-8-3-2-7-19(20)22/h2-13,23H,14,22H2,1H3,(H,24,25).
What are the key properties of N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide?
N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide has a molecular weight of 347.42 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide is sourced from PubChem (CID 22478895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).