N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide

C18H20FNO — CID 1225838

IUPACN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCc1ccc([C@@H](C)NC(=O)Cc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C18H20FNO/c1-12-4-9-17(13(2)10-12)14(3)20-18(21)11-15-5-7-16(19)8-6-15/h4-10,14H,11H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyIVNYEQMKAUCRBW-CQSZACIVSA-N
MW285.36 g/mol
LogP3.86
Rot. Bonds4

About N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide

N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 1225838) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID1225838
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC NameN-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCc1ccc([C@@H](C)NC(=O)Cc2ccc(F)cc2)c(C)c1
InChIInChI=1S/C18H20FNO/c1-12-4-9-17(13(2)10-12)14(3)20-18(21)11-15-5-7-16(19)8-6-15/h4-10,14H,11H2,1-3H3,(H,20,21)/t14-/m1/s1
InChIKeyIVNYEQMKAUCRBW-CQSZACIVSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2,4-dimethylphenyl)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]acetamide
CID 100749058
N-[1-(2,5-dimethylphenyl)ethyl]-3-(4-fluorophenyl)propanamide
CID 133178558
(2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenoxy)butanamide
CID 92671756
N-[1-(2,4-difluorophenyl)ethyl]-2-(4-hydroxyphenyl)acetamide
CID 78806063
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 99643736
N-[1-(2,4-dimethylphenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 3325652
2-(4-bromophenyl)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]acetamide
CID 841018
3-(4-chlorophenyl)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]propanamide
CID 100589534
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(2-fluorophenoxy)acetamide
CID 94843755
5-[1-(2,4-dimethylphenyl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 62964709
N-[1-(2,4-dimethylphenyl)ethyl]acetamide
CID 17327567

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide (CID 1225838) is N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide is Cc1ccc([C@@H](C)NC(=O)Cc2ccc(F)cc2)c(C)c1.
What is the InChIKey of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is IVNYEQMKAUCRBW-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20FNO/c1-12-4-9-17(13(2)10-12)14(3)20-18(21)11-15-5-7-16(19)8-6-15/h4-10,14H,11H2,1-3H3,(H,20,21)/t14-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide?
N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 285.36 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 1225838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).