2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide

C20H31F2NO — CID 71091886

IUPAC2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide
SMILESCCC(C)(C)NC(=O)C(CCc1cc(F)cc(F)c1)CC(C)(C)C
InChIInChI=1S/C20H31F2NO/c1-7-20(5,6)23-18(24)15(13-19(2,3)4)9-8-14-10-16(21)12-17(22)11-14/h10-12,15H,7-9,13H2,1-6H3,(H,23,24)
InChIKeySSSZASVCSWXUGV-UHFFFAOYSA-N
MW339.47 g/mol
LogP5.25
Rot. Bonds7

About 2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide

2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide (PubChem CID 71091886) has the molecular formula C20H31F2NO and a molecular weight of 339.47 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide
PubChem CID71091886
Molecular FormulaC20H31F2NO
Molecular Weight339.47 g/mol
Exact Mass339.24
IUPAC Name2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide
SMILESCCC(C)(C)NC(=O)C(CCc1cc(F)cc(F)c1)CC(C)(C)C
InChIInChI=1S/C20H31F2NO/c1-7-20(5,6)23-18(24)15(13-19(2,3)4)9-8-14-10-16(21)12-17(22)11-14/h10-12,15H,7-9,13H2,1-6H3,(H,23,24)
InChIKeySSSZASVCSWXUGV-UHFFFAOYSA-N
XLogP5.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.47
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-propan-2-ylpentanamide
CID 59164349
2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 70921104
bis(N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide);N-tert-butyl-2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethylpentanamide;N-tert-butyl-4-(3,5-difluorophenyl)-2-[(2-methylcyclopropyl)methyl]butanamide;N-tert-butyl-4,4-dimethyl-2-propoxypentanamide
CID 158369363
2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-ol
CID 105410774
(2S)-2-amino-N-[1,3-bis(3,5-difluorophenyl)-2-methylpropan-2-yl]propanamide
CID 163242490
(2S)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 62614363
2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide
CID 21366270
2-(cyclobutylmethyl)-4-(3,5-difluorophenyl)-N-methylbutanamide
CID 70921105
2-[(3,5-difluorophenyl)methyl]-2-methylbutan-1-amine
CID 105408136
(2R)-2-amino-N-(2-methylbutan-2-yl)pentanamide
CID 103793847
1-(3,5-difluorophenyl)-3,3-dimethylbutan-2-one
CID 59128716
2-amino-1-(3,5-difluorophenyl)-2-methylbutan-1-one
CID 116590471

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide?
The IUPAC name of 2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide (CID 71091886) is 2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide is CCC(C)(C)NC(=O)C(CCc1cc(F)cc(F)c1)CC(C)(C)C.
What is the InChIKey of 2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide?
The InChIKey is SSSZASVCSWXUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31F2NO/c1-7-20(5,6)23-18(24)15(13-19(2,3)4)9-8-14-10-16(21)12-17(22)11-14/h10-12,15H,7-9,13H2,1-6H3,(H,23,24).
What are the key properties of 2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide?
2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide has a molecular weight of 339.47 g/mol, XLogP of 5.25, 7 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]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide is sourced from PubChem (CID 71091886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).