3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide

C20H23ClN2O4 — CID 113130211

IUPAC3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide
SMILESCOc1ccc(N(CCC(=O)NCc2ccccc2Cl)C(C)=O)cc1OC
InChIInChI=1S/C20H23ClN2O4/c1-14(24)23(16-8-9-18(26-2)19(12-16)27-3)11-10-20(25)22-13-15-6-4-5-7-17(15)21/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)
InChIKeyRGBMCFPVSWQAFE-UHFFFAOYSA-N
MW390.87 g/mol
LogP3.42
Rot. Bonds8

About 3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide

3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide (PubChem CID 113130211) has the molecular formula C20H23ClN2O4 and a molecular weight of 390.87 g/mol. Its IUPAC name is 3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide
PubChem CID113130211
Molecular FormulaC20H23ClN2O4
Molecular Weight390.87 g/mol
Exact Mass390.13
IUPAC Name3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide
SMILESCOc1ccc(N(CCC(=O)NCc2ccccc2Cl)C(C)=O)cc1OC
InChIInChI=1S/C20H23ClN2O4/c1-14(24)23(16-8-9-18(26-2)19(12-16)27-3)11-10-20(25)22-13-15-6-4-5-7-17(15)21/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)
InChIKeyRGBMCFPVSWQAFE-UHFFFAOYSA-N
XLogP3.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.87
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[(2-chlorophenyl)methyl]acetamide
CID 113172670
N-[(2-chlorophenyl)methyl]-3-(N,3-diacetylanilino)propanamide
CID 113130651
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113130206
3-(N-acetyl-3,4-dimethoxyanilino)-N-[2-(2-fluorophenyl)ethyl]propanamide
CID 113130221
3-[N-acetyl-3-(trifluoromethyl)anilino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113130437
3-(N-acetyl-3,4-dimethoxyanilino)-N-prop-2-enylpropanamide
CID 113130181
3-[acetyl(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 113133005
N-[(2-chlorophenyl)methyl]-3-[(3,4-dimethoxyphenyl)methylamino]propanamide
CID 109021346
3-(N-acetyl-2,5-dichloroanilino)-N-[(2-chlorophenyl)methyl]propanamide
CID 113133973
3-[acetyl-[(4-methoxyphenyl)methyl]amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113119893
3-(N-acetyl-3,4-dimethoxyanilino)-N-propan-2-ylpropanamide
CID 113130179
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 113128357

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide?
The IUPAC name of 3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide (CID 113130211) is 3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide.
What is the SMILES notation for 3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide?
The canonical SMILES for 3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide is COc1ccc(N(CCC(=O)NCc2ccccc2Cl)C(C)=O)cc1OC.
What is the InChIKey of 3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide?
The InChIKey is RGBMCFPVSWQAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O4/c1-14(24)23(16-8-9-18(26-2)19(12-16)27-3)11-10-20(25)22-13-15-6-4-5-7-17(15)21/h4-9,12H,10-11,13H2,1-3H3,(H,22,25).
What are the key properties of 3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide?
3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide has a molecular weight of 390.87 g/mol, XLogP of 3.42, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3,4-dimethoxyanilino)-N-[(2-chlorophenyl)methyl]propanamide is sourced from PubChem (CID 113130211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).