N-(2,5-dimethylphenyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylacetamide

C25H27FN2O2 — CID 112797202

IUPACN-(2,5-dimethylphenyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylacetamide
SMILESCOc1ccc(C(C)NC(C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1F
InChIInChI=1S/C25H27FN2O2/c1-16-10-11-17(2)22(14-16)28-25(29)24(19-8-6-5-7-9-19)27-18(3)20-12-13-23(30-4)21(26)15-20/h5-15,18,24,27H,1-4H3,(H,28,29)
InChIKeyYJKVUAZSVGWTQL-UHFFFAOYSA-N
MW406.50 g/mol
LogP5.48
Rot. Bonds7

About N-(2,5-dimethylphenyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylacetamide

N-(2,5-dimethylphenyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylacetamide (PubChem CID 112797202) has the molecular formula C25H27FN2O2 and a molecular weight of 406.50 g/mol. Its IUPAC name is N-(2,5-dimethylphenyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylacetamide.

Molecular Properties

Compound NameN-(2,5-dimethylphenyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylacetamide
PubChem CID112797202
Molecular FormulaC25H27FN2O2
Molecular Weight406.50 g/mol
Exact Mass406.21
IUPAC NameN-(2,5-dimethylphenyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylacetamide
SMILESCOc1ccc(C(C)NC(C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1F
InChIInChI=1S/C25H27FN2O2/c1-16-10-11-17(2)22(14-16)28-25(29)24(19-8-6-5-7-9-19)27-18(3)20-12-13-23(30-4)21(26)15-20/h5-15,18,24,27H,1-4H3,(H,28,29)
InChIKeyYJKVUAZSVGWTQL-UHFFFAOYSA-N
XLogP5.48
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.50
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-(2,5-dimethylphenyl)-2-(2-methoxyanilino)-2-phenylacetamide
CID 9345391
(2R)-2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 9307161
(1S)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-1-phenylethanamine
CID 81350523
(2R)-2-(2,4-difluorophenoxy)-N-(2,5-dimethylphenyl)-2-phenylacetamide
CID 51645271
[(2R)-1-(2,5-dimethylanilino)-1-oxopropan-2-yl] 3-fluoro-4-methoxybenzoate
CID 9310033
N-(2,5-dimethylphenyl)-2-phenyl-2-(propylamino)acetamide
CID 4781429
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2,2-diphenylacetamide
CID 9051417
(2R)-N-(2,5-dimethylphenyl)-2-(2-methylpropylamino)-2-phenylacetamide
CID 2396119
(2S)-2-[[(1R)-1-cyclopropyl-2-methoxyethyl]amino]-N-(2-methoxy-5-methylphenyl)-2-phenylacetamide
CID 97238931
(2R)-N-(2,5-dimethylphenyl)-2-(4-methylanilino)-2-phenylacetamide
CID 7778075
(2R)-N-(2,5-dimethylphenyl)-2-(3-fluoro-4-phenylphenyl)propanamide
CID 850717
(2R)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylethanol
CID 103788710

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylphenyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylacetamide?
The IUPAC name of N-(2,5-dimethylphenyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylacetamide (CID 112797202) is N-(2,5-dimethylphenyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylacetamide.
What is the SMILES notation for N-(2,5-dimethylphenyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylacetamide?
The canonical SMILES for N-(2,5-dimethylphenyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylacetamide is COc1ccc(C(C)NC(C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1F.
What is the InChIKey of N-(2,5-dimethylphenyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylacetamide?
The InChIKey is YJKVUAZSVGWTQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O2/c1-16-10-11-17(2)22(14-16)28-25(29)24(19-8-6-5-7-9-19)27-18(3)20-12-13-23(30-4)21(26)15-20/h5-15,18,24,27H,1-4H3,(H,28,29).
What are the key properties of N-(2,5-dimethylphenyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylacetamide?
N-(2,5-dimethylphenyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylacetamide has a molecular weight of 406.50 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylphenyl)-2-[1-(3-fluoro-4-methoxyphenyl)ethylamino]-2-phenylacetamide is sourced from PubChem (CID 112797202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).