N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide

C19H21Cl2NO3 — CID 110301025

IUPACN-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(C(C(=O)Nc2c(Cl)cccc2Cl)C(C)C)cc1OC
InChIInChI=1S/C19H21Cl2NO3/c1-11(2)17(12-8-9-15(24-3)16(10-12)25-4)19(23)22-18-13(20)6-5-7-14(18)21/h5-11,17H,1-4H3,(H,22,23)
InChIKeyHFUXZOGXADRWBT-UHFFFAOYSA-N
MW382.29 g/mol
LogP5.39
Rot. Bonds6

About N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide

N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide (PubChem CID 110301025) has the molecular formula C19H21Cl2NO3 and a molecular weight of 382.29 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
PubChem CID110301025
Molecular FormulaC19H21Cl2NO3
Molecular Weight382.29 g/mol
Exact Mass381.09
IUPAC NameN-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
SMILESCOc1ccc(C(C(=O)Nc2c(Cl)cccc2Cl)C(C)C)cc1OC
InChIInChI=1S/C19H21Cl2NO3/c1-11(2)17(12-8-9-15(24-3)16(10-12)25-4)19(23)22-18-13(20)6-5-7-14(18)21/h5-11,17H,1-4H3,(H,22,23)
InChIKeyHFUXZOGXADRWBT-UHFFFAOYSA-N
XLogP5.39
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.29
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-chlorophenyl)methyl]-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110300954
2-(3,4-dimethoxyphenyl)-3-methyl-N-(4-pyrrolidin-1-ylphenyl)butanamide
CID 110301018
N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)sulfanylacetamide
CID 38016758
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)-3-methylbutanamide
CID 7900734
N-butyl-2-(3,4-dimethoxyphenyl)-3-methylbutanamide
CID 110300926
(2R)-2-(4-chlorophenyl)-N-(2-methoxyphenyl)-3-methylbutanamide
CID 8714154
(2S)-2-(4-chlorophenyl)-N-(2-methoxy-5-methylphenyl)-3-methylbutanamide
CID 7962614
N-(2,3-dichlorophenyl)-N'-[1-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 108500688
2-(3,4-dimethoxyphenyl)-N-[3-(dimethylamino)propyl]-3-methylbutanamide
CID 110300940
(2S)-2-(4-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)-3-methylbutanamide
CID 9100277
(Z)-2-cyano-3-(2,6-dichloroanilino)-N-[1-(3,4-dimethoxyphenyl)ethyl]prop-2-enamide
CID 108847191
N-(2,6-dichlorophenyl)-2,6-dimethoxybenzamide
CID 3653582

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide?
The IUPAC name of N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide (CID 110301025) is N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide is COc1ccc(C(C(=O)Nc2c(Cl)cccc2Cl)C(C)C)cc1OC.
What is the InChIKey of N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide?
The InChIKey is HFUXZOGXADRWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO3/c1-11(2)17(12-8-9-15(24-3)16(10-12)25-4)19(23)22-18-13(20)6-5-7-14(18)21/h5-11,17H,1-4H3,(H,22,23).
What are the key properties of N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide?
N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide has a molecular weight of 382.29 g/mol, XLogP of 5.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-2-(3,4-dimethoxyphenyl)-3-methylbutanamide is sourced from PubChem (CID 110301025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).