N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide

C13H15F4NO2 — CID 97053597

IUPACN-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1ccc([C@@H](C)NC(=O)COCC(F)(F)F)cc1F
InChIInChI=1S/C13H15F4NO2/c1-8-3-4-10(5-11(8)14)9(2)18-12(19)6-20-7-13(15,16)17/h3-5,9H,6-7H2,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyAGBPKXFAWYRBAN-SECBINFHSA-N
MW293.26 g/mol
LogP2.89
Rot. Bonds5

About N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 97053597) has the molecular formula C13H15F4NO2 and a molecular weight of 293.26 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID97053597
Molecular FormulaC13H15F4NO2
Molecular Weight293.26 g/mol
Exact Mass293.10
IUPAC NameN-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCc1ccc([C@@H](C)NC(=O)COCC(F)(F)F)cc1F
InChIInChI=1S/C13H15F4NO2/c1-8-3-4-10(5-11(8)14)9(2)18-12(19)6-20-7-13(15,16)17/h3-5,9H,6-7H2,1-2H3,(H,18,19)/t9-/m1/s1
InChIKeyAGBPKXFAWYRBAN-SECBINFHSA-N
XLogP2.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.26
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-fluoro-4-methylphenyl)ethyl]-3-sulfanylpropanamide
CID 107032695
2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 113427810
N-[(1S)-1-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 97088714
2-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]ethoxy]acetamide
CID 106235231
N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 8795085
2-(2-aminoethoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 79473917
2-(3,4-difluorophenoxy)-N-[1-(3,4-dimethylphenyl)ethyl]acetamide
CID 24608166
N-[(1S)-1-(3-fluoro-4-methylphenyl)ethyl]-3-piperidin-4-ylpropanamide
CID 124517249
3-amino-N-[1-(3-fluoro-4-methylphenyl)ethyl]-2-methoxypropanamide
CID 106113187
1-[2-[1-(3-fluoro-4-methylphenyl)ethylamino]-2-oxoethyl]pyrazole-4-carboxylic acid
CID 146136990
N-[1-(3,4-difluorophenyl)ethyl]-2-(3,4-dimethylphenyl)acetamide
CID 18084334
2-(aminomethyl)-N-[1-(3-fluoro-4-methylphenyl)ethyl]-4,4-dimethylpentanamide
CID 107472449

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 97053597) is N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide is Cc1ccc([C@@H](C)NC(=O)COCC(F)(F)F)cc1F.
What is the InChIKey of N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is AGBPKXFAWYRBAN-SECBINFHSA-N. The full InChI is InChI=1S/C13H15F4NO2/c1-8-3-4-10(5-11(8)14)9(2)18-12(19)6-20-7-13(15,16)17/h3-5,9H,6-7H2,1-2H3,(H,18,19)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 293.26 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 97053597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).