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

C18H19F2NO — CID 18084334

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC(C)c2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C18H19F2NO/c1-11-4-5-14(8-12(11)2)9-18(22)21-13(3)15-6-7-16(19)17(20)10-15/h4-8,10,13H,9H2,1-3H3,(H,21,22)
InChIKeyBESNEWKYYTYVOF-UHFFFAOYSA-N
MW303.35 g/mol
LogP4.00
Rot. Bonds4

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

N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide (PubChem CID 18084334) has the molecular formula C18H19F2NO and a molecular weight of 303.35 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
PubChem CID18084334
Molecular FormulaC18H19F2NO
Molecular Weight303.35 g/mol
Exact Mass303.14
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(CC(=O)NC(C)c2ccc(F)c(F)c2)cc1C
InChIInChI=1S/C18H19F2NO/c1-11-4-5-14(8-12(11)2)9-18(22)21-13(3)15-6-7-16(19)17(20)10-15/h4-8,10,13H,9H2,1-3H3,(H,21,22)
InChIKeyBESNEWKYYTYVOF-UHFFFAOYSA-N
XLogP4.00
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-2-phenylacetamide
CID 112764194
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methylphenyl)acetamide
CID 51175691
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 28632238
2-(3,4-difluorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 24608166
2-[4-(difluoromethoxy)phenyl]-N-[1-(3,4-difluorophenyl)ethyl]acetamide
CID 78808643
2-(3,4-dimethylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]acetamide
CID 51410979
N-[1-(3,4-difluorophenyl)ethyl]-3-methylbutanamide
CID 78778452
[2-[[(1S)-1-(3,4-dimethylphenyl)ethyl]amino]-2-oxoethyl] 2-(3,4-dimethylphenyl)acetate
CID 7904361
N-[1-(3,4-difluorophenyl)ethyl]butanamide
CID 60630405
N-[1-(3,4-difluorophenyl)ethyl]-2-(6,7-dimethyl-1-benzofuran-3-yl)acetamide
CID 43000615
N-[1-(3,4-difluorophenyl)ethyl]-3-(propan-2-ylamino)propanamide
CID 54924909
2-[4-[[(1R)-1-(3,4-difluorophenyl)ethyl]amino]phenyl]-N-propan-2-ylacetamide
CID 95624398

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide (CID 18084334) is N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide is Cc1ccc(CC(=O)NC(C)c2ccc(F)c(F)c2)cc1C.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is BESNEWKYYTYVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO/c1-11-4-5-14(8-12(11)2)9-18(22)21-13(3)15-6-7-16(19)17(20)10-15/h4-8,10,13H,9H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide?
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 303.35 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 18084334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).