3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide

C18H18Cl2N2O3 — CID 113129028

IUPAC3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide
SMILESCOc1cccc(N(CCC(=O)Nc2c(Cl)cccc2Cl)C(C)=O)c1
InChIInChI=1S/C18H18Cl2N2O3/c1-12(23)22(13-5-3-6-14(11-13)25-2)10-9-17(24)21-18-15(19)7-4-8-16(18)20/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyKEVIZLRXTRDYEG-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.38
Rot. Bonds6

About 3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide

3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide (PubChem CID 113129028) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is 3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide
PubChem CID113129028
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC Name3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide
SMILESCOc1cccc(N(CCC(=O)Nc2c(Cl)cccc2Cl)C(C)=O)c1
InChIInChI=1S/C18H18Cl2N2O3/c1-12(23)22(13-5-3-6-14(11-13)25-2)10-9-17(24)21-18-15(19)7-4-8-16(18)20/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyKEVIZLRXTRDYEG-UHFFFAOYSA-N
XLogP4.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-3-chloroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113127330
3-(N-acetyl-3,4-difluoroanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113135637
3-(N-acetyl-3-chloroanilino)-N-(4-methoxyphenyl)propanamide
CID 113127294
3-(N-acetyl-3-methoxyanilino)-N-(2,4-difluorophenyl)propanamide
CID 113129022
3-(N-acetyl-3-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 113128873
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(2,6-dichlorophenyl)propanamide
CID 113132959
3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113125485
3-(N-acetyl-3-methoxyanilino)-N-(2-propan-2-yloxyphenyl)propanamide
CID 113128994
3-(N-acetyl-3-methoxyanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 113128887
3-(N-acetyl-3,4-dimethoxyanilino)-N-(2,6-dimethylphenyl)propanamide
CID 113130250
3-(3-acetamido-N-acetylanilino)-N-(4-methoxyphenyl)propanamide
CID 113131035
3-(N-acetyl-3-methylanilino)-N-(4-methoxyphenyl)propanamide
CID 113123854

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide (CID 113129028) is 3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide is COc1cccc(N(CCC(=O)Nc2c(Cl)cccc2Cl)C(C)=O)c1.
What is the InChIKey of 3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is KEVIZLRXTRDYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c1-12(23)22(13-5-3-6-14(11-13)25-2)10-9-17(24)21-18-15(19)7-4-8-16(18)20/h3-8,11H,9-10H2,1-2H3,(H,21,24).
What are the key properties of 3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide?
3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 381.26 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-methoxyanilino)-N-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 113129028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).