2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide

C22H22N2O3 — CID 112985879

IUPAC2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(Nc2ccccc2C)cc1
InChIInChI=1S/C22H22N2O3/c1-15-7-4-5-8-18(15)23-16-11-13-17(14-12-16)24-22(25)21-19(26-2)9-6-10-20(21)27-3/h4-14,23H,1-3H3,(H,24,25)
InChIKeyIGFCZVMBWYQJPY-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.01
Rot. Bonds6

About 2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide

2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide (PubChem CID 112985879) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
PubChem CID112985879
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(Nc2ccccc2C)cc1
InChIInChI=1S/C22H22N2O3/c1-15-7-4-5-8-18(15)23-16-11-13-17(14-12-16)24-22(25)21-19(26-2)9-6-10-20(21)27-3/h4-14,23H,1-3H3,(H,24,25)
InChIKeyIGFCZVMBWYQJPY-UHFFFAOYSA-N
XLogP5.01
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.43
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 142804897
3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985880
2,6-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776411
2,6-dimethoxy-N-[2-methyl-5-(phenylcarbamoyl)phenyl]benzamide
CID 154838760
N-(4-iodophenyl)-2,6-dimethoxybenzamide
CID 1019212
2-amino-6-methoxy-N-(2-methylphenyl)benzamide
CID 81410704
4-[4-[(2,6-dimethoxybenzoyl)amino]phenyl]butanoic acid;4-[4-[(2-methylphenyl)carbamoylamino]phenyl]butanoic acid
CID 91490527
N-[4-(2-methoxyanilino)phenyl]-2-(2-methylphenyl)acetamide
CID 112987367
N-[6-(2,6-dimethylanilino)-3-pyridinyl]-2,6-dimethoxybenzamide
CID 113017171
N-(4-ethylphenyl)-2,6-dimethoxybenzamide
CID 596670
N-(4-carbamoylphenyl)-2,6-dimethoxybenzamide
CID 4126051
N-(2,5-dimethylphenyl)-2,6-dimethoxybenzamide
CID 2842934

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide (CID 112985879) is 2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide is COc1cccc(OC)c1C(=O)Nc1ccc(Nc2ccccc2C)cc1.
What is the InChIKey of 2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide?
The InChIKey is IGFCZVMBWYQJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15-7-4-5-8-18(15)23-16-11-13-17(14-12-16)24-22(25)21-19(26-2)9-6-10-20(21)27-3/h4-14,23H,1-3H3,(H,24,25).
What are the key properties of 2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide?
2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide has a molecular weight of 362.43 g/mol, XLogP of 5.01, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide is sourced from PubChem (CID 112985879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).