N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide

C18H19F2NO3 — CID 46418763

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(C)c2ccc(F)c(F)c2)c(OC)c1
InChIInChI=1S/C18H19F2NO3/c1-11(12-5-7-15(19)16(20)8-12)21-18(22)9-13-4-6-14(23-2)10-17(13)24-3/h4-8,10-11H,9H2,1-3H3,(H,21,22)
InChIKeyIHUKKIIKPXRTDD-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.40
Rot. Bonds6

About N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide

N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide (PubChem CID 46418763) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide
PubChem CID46418763
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NC(C)c2ccc(F)c(F)c2)c(OC)c1
InChIInChI=1S/C18H19F2NO3/c1-11(12-5-7-15(19)16(20)8-12)21-18(22)9-13-4-6-14(23-2)10-17(13)24-3/h4-8,10-11H,9H2,1-3H3,(H,21,22)
InChIKeyIHUKKIIKPXRTDD-UHFFFAOYSA-N
XLogP3.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethoxyphenyl)-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]acetamide
CID 26958270
N-[1-(4-chlorophenyl)ethyl]-2-(2,5-dimethoxyphenyl)acetamide
CID 43874167
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
2-(2-fluorophenyl)-N-[1-(3-methoxyphenyl)ethyl]acetamide
CID 6470392
2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 78808643
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 18084334
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 51175691
2-(2-methoxyphenyl)-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 40636202
N-[1-(3,4-difluorophenyl)ethyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275714
2-(4-chloro-2-fluorophenyl)-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 133230731
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide (CID 46418763) is N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)NC(C)c2ccc(F)c(F)c2)c(OC)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is IHUKKIIKPXRTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-11(12-5-7-15(19)16(20)8-12)21-18(22)9-13-4-6-14(23-2)10-17(13)24-3/h4-8,10-11H,9H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide?
N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 335.35 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 46418763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).