3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide

C22H22N2O3 — CID 112985880

IUPAC3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3C)cc2)cc1OC
InChIInChI=1S/C22H22N2O3/c1-15-6-4-5-7-19(15)23-17-9-11-18(12-10-17)24-22(25)16-8-13-20(26-2)21(14-16)27-3/h4-14,23H,1-3H3,(H,24,25)
InChIKeyCLSNOKLDCQXPJD-UHFFFAOYSA-N
MW362.43 g/mol
LogP5.01
Rot. Bonds6

About 3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide

3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide (PubChem CID 112985880) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
PubChem CID112985880
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(Nc3ccccc3C)cc2)cc1OC
InChIInChI=1S/C22H22N2O3/c1-15-6-4-5-7-19(15)23-17-9-11-18(12-10-17)24-22(25)16-8-13-20(26-2)21(14-16)27-3/h4-14,23H,1-3H3,(H,24,25)
InChIKeyCLSNOKLDCQXPJD-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

N-[4-(2-chloroanilino)phenyl]-3,4-dimethoxybenzamide
CID 112986928
3,4-dimethoxy-N-[6-(2-methylanilino)-3-pyridinyl]benzamide
CID 113016106
1-N-(3,4-dimethoxyphenyl)-4-N-(2-methylphenyl)benzene-1,4-dicarboxamide
CID 109049317
2,6-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide
CID 112985879
3,4-dimethoxy-N-[(2-methylphenyl)carbamothioyl]benzamide
CID 881520
3,4-dimethoxy-N-(4-methoxy-3-methylphenyl)benzamide
CID 110776412
4-(2-amino-2-oxoethoxy)-3-methoxy-N-(2-methylphenyl)benzamide
CID 8872324
N-[4-(2,6-difluoroanilino)phenyl]-3,4-dimethoxybenzamide
CID 112990211
N-(4-bromophenyl)-3,4-dimethoxybenzamide
CID 855033
2,6-dimethoxy-N-[4-[(2-methylphenyl)carbamoyl]phenyl]benzamide
CID 142804897
3-anilino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 18626285
N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide (CID 112985880) is 3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(Nc3ccccc3C)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide?
The InChIKey is CLSNOKLDCQXPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-15-6-4-5-7-19(15)23-17-9-11-18(12-10-17)24-22(25)16-8-13-20(26-2)21(14-16)27-3/h4-14,23H,1-3H3,(H,24,25).
What are the key properties of 3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide?
3,4-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 3,4-dimethoxy-N-[4-(2-methylanilino)phenyl]benzamide is sourced from PubChem (CID 112985880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).