N-(2-aminophenyl)-4-[(4-methoxyphenyl)methylamino]benzamide

C21H21N3O2 — CID 22478630

IUPACN-(2-aminophenyl)-4-[(4-methoxyphenyl)methylamino]benzamide
SMILESCOc1ccc(CNc2ccc(C(=O)Nc3ccccc3N)cc2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-18-12-6-15(7-13-18)14-23-17-10-8-16(9-11-17)21(25)24-20-5-3-2-4-19(20)22/h2-13,23H,14,22H2,1H3,(H,24,25)
InChIKeyQKHSPOZLSODGTA-UHFFFAOYSA-N
MW347.42 g/mol
LogP4.14
Rot. Bonds6

About N-(2-aminophenyl)-4-[(4-methoxyphenyl)methylamino]benzamide

N-(2-aminophenyl)-4-[(4-methoxyphenyl)methylamino]benzamide (PubChem CID 22478630) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(4-methoxyphenyl)methylamino]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(4-methoxyphenyl)methylamino]benzamide
PubChem CID22478630
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN-(2-aminophenyl)-4-[(4-methoxyphenyl)methylamino]benzamide
SMILESCOc1ccc(CNc2ccc(C(=O)Nc3ccccc3N)cc2)cc1
InChIInChI=1S/C21H21N3O2/c1-26-18-12-6-15(7-13-18)14-23-17-10-8-16(9-11-17)21(25)24-20-5-3-2-4-19(20)22/h2-13,23H,14,22H2,1H3,(H,24,25)
InChIKeyQKHSPOZLSODGTA-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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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(4-methoxyphenyl)methylamino]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(4-methoxyphenyl)methylamino]benzamide (CID 22478630) is N-(2-aminophenyl)-4-[(4-methoxyphenyl)methylamino]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(4-methoxyphenyl)methylamino]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(4-methoxyphenyl)methylamino]benzamide is COc1ccc(CNc2ccc(C(=O)Nc3ccccc3N)cc2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[(4-methoxyphenyl)methylamino]benzamide?
The InChIKey is QKHSPOZLSODGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-26-18-12-6-15(7-13-18)14-23-17-10-8-16(9-11-17)21(25)24-20-5-3-2-4-19(20)22/h2-13,23H,14,22H2,1H3,(H,24,25).
What are the key properties of N-(2-aminophenyl)-4-[(4-methoxyphenyl)methylamino]benzamide?
N-(2-aminophenyl)-4-[(4-methoxyphenyl)methylamino]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-[(4-methoxyphenyl)methylamino]benzamide is sourced from PubChem (CID 22478630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).