N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide

C22H23N3O — CID 22478639

IUPACN-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide
SMILESCc1cc(C)cc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)c1
InChIInChI=1S/C22H23N3O/c1-15-11-16(2)13-19(12-15)24-14-17-7-9-18(10-8-17)22(26)25-21-6-4-3-5-20(21)23/h3-13,24H,14,23H2,1-2H3,(H,25,26)
InChIKeyUTXDJDBTPAQYPN-UHFFFAOYSA-N
MW345.45 g/mol
LogP4.75
Rot. Bonds5

About N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide

N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide (PubChem CID 22478639) has the molecular formula C22H23N3O and a molecular weight of 345.45 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide
PubChem CID22478639
Molecular FormulaC22H23N3O
Molecular Weight345.45 g/mol
Exact Mass345.18
IUPAC NameN-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide
SMILESCc1cc(C)cc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)c1
InChIInChI=1S/C22H23N3O/c1-15-11-16(2)13-19(12-15)24-14-17-7-9-18(10-8-17)22(26)25-21-6-4-3-5-20(21)23/h3-13,24H,14,23H2,1-2H3,(H,25,26)
InChIKeyUTXDJDBTPAQYPN-UHFFFAOYSA-N
XLogP4.75
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 54.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[(3-methoxyanilino)methyl]benzamide
CID 22478895
N-(2-aminophenyl)-4-(2,2-dimethylpropyl)benzamide
CID 58916411
N-(2-aminophenyl)-4-[[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]methyl]benzamide
CID 22478912
N-(2-aminophenyl)-4-[(4-methoxy-2-methylanilino)methyl]benzamide
CID 22478761
N-(2-aminophenyl)-4-[[(2-phenylacetyl)amino]methyl]benzamide
CID 11348920
4-[(2-methylanilino)methyl]-N-(3-methylphenyl)benzamide
CID 145489122
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
N-(2-aminophenyl)-4-[[(2,6-dimethoxypyrimidin-4-yl)amino]methyl]benzamide
CID 22478791
4-[[(6-amino-1,3-benzothiazol-2-yl)amino]methyl]-N-(2-aminophenyl)benzamide
CID 87079051
N-(2-aminophenyl)-3-fluoro-5-methylbenzamide
CID 112701162
3-(aminomethyl)-N-(2-aminophenyl)-4-(benzylamino)benzamide
CID 134546834
N-(2-aminophenyl)-4-[(6H-indolo[3,2-b]quinoxalin-9-ylamino)methyl]benzamide
CID 142222386

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide (CID 22478639) is N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide is Cc1cc(C)cc(NCc2ccc(C(=O)Nc3ccccc3N)cc2)c1.
What is the InChIKey of N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide?
The InChIKey is UTXDJDBTPAQYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O/c1-15-11-16(2)13-19(12-15)24-14-17-7-9-18(10-8-17)22(26)25-21-6-4-3-5-20(21)23/h3-13,24H,14,23H2,1-2H3,(H,25,26).
What are the key properties of N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide?
N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide has a molecular weight of 345.45 g/mol, XLogP of 4.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[(3,5-dimethylanilino)methyl]benzamide is sourced from PubChem (CID 22478639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).