2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide

C15H21F2NO — CID 70921104

IUPAC2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide
SMILESCNC(=O)C(CCc1cc(F)cc(F)c1)C(C)(C)C
InChIInChI=1S/C15H21F2NO/c1-15(2,3)13(14(19)18-4)6-5-10-7-11(16)9-12(17)8-10/h7-9,13H,5-6H2,1-4H3,(H,18,19)
InChIKeyIUMXWRDMMROUIY-UHFFFAOYSA-N
MW269.33 g/mol
LogP3.31
Rot. Bonds4

About 2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide

2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide (PubChem CID 70921104) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide
PubChem CID70921104
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide
SMILESCNC(=O)C(CCc1cc(F)cc(F)c1)C(C)(C)C
InChIInChI=1S/C15H21F2NO/c1-15(2,3)13(14(19)18-4)6-5-10-7-11(16)9-12(17)8-10/h7-9,13H,5-6H2,1-4H3,(H,18,19)
InChIKeyIUMXWRDMMROUIY-UHFFFAOYSA-N
XLogP3.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide
CID 55094162
2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-propan-2-ylpentanamide
CID 59164349
(2S)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 62614363
2-(cyclobutylmethyl)-4-(3,5-difluorophenyl)-N-methylbutanamide
CID 70921105
N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide
CID 20790190
2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide
CID 71091886
2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 62305792
N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide
CID 58862460
(2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide
CID 163242490
N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide
CID 115579695
(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide
CID 104903415
2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide
CID 21366270

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide?
The IUPAC name of 2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide (CID 70921104) is 2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide is CNC(=O)C(CCc1cc(F)cc(F)c1)C(C)(C)C.
What is the InChIKey of 2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide?
The InChIKey is IUMXWRDMMROUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-15(2,3)13(14(19)18-4)6-5-10-7-11(16)9-12(17)8-10/h7-9,13H,5-6H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide?
2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide has a molecular weight of 269.33 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide is sourced from PubChem (CID 70921104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).