2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-propan-2-ylpentanamide

C18H27F2NO — CID 59164349

IUPAC2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)C(CCc1cc(F)cc(F)c1)CC(C)(C)C
InChIInChI=1S/C18H27F2NO/c1-12(2)21-17(22)14(11-18(3,4)5)7-6-13-8-15(19)10-16(20)9-13/h8-10,12,14H,6-7,11H2,1-5H3,(H,21,22)
InChIKeyQAGMCTKHKRSVPA-UHFFFAOYSA-N
MW311.42 g/mol
LogP4.47
Rot. Bonds6

About 2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-propan-2-ylpentanamide

2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-propan-2-ylpentanamide (PubChem CID 59164349) has the molecular formula C18H27F2NO and a molecular weight of 311.42 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-propan-2-ylpentanamide
PubChem CID59164349
Molecular FormulaC18H27F2NO
Molecular Weight311.42 g/mol
Exact Mass311.21
IUPAC Name2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)C(CCc1cc(F)cc(F)c1)CC(C)(C)C
InChIInChI=1S/C18H27F2NO/c1-12(2)21-17(22)14(11-18(3,4)5)7-6-13-8-15(19)10-16(20)9-13/h8-10,12,14H,6-7,11H2,1-5H3,(H,21,22)
InChIKeyQAGMCTKHKRSVPA-UHFFFAOYSA-N
XLogP4.47
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.42
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-propan-2-ylpentanamide 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-(2-methylbutan-2-yl)pentanamide
CID 71091886
2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide
CID 21366270
2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 70921104
2-(cyclobutylmethyl)-4-(3,5-difluorophenyl)-N-methylbutanamide
CID 70921105
(2S)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-3,3-dimethylbutanamide
CID 62614363
N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide
CID 115579695
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-(2,2-dimethylpropyl)-N-propan-2-ylpent-4-enamide
CID 21366384
(2R)-2-amino-N-[2-(3,5-difluorophenyl)ethyl]-4-methylpentanamide
CID 104903415
2-[2-(3,5-difluorophenyl)ethylamino]-N-(3-methylbutyl)propanamide
CID 62305792
2-[2-(3,5-difluorophenyl)ethylamino]-N-methylpropanamide
CID 55094162
2-(aminomethyl)-N-[(1S)-1-(4-fluorophenyl)ethyl]-4,4-dimethylpentanamide
CID 107472487

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-propan-2-ylpentanamide?
The IUPAC name of 2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-propan-2-ylpentanamide (CID 59164349) is 2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-propan-2-ylpentanamide.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-propan-2-ylpentanamide?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-propan-2-ylpentanamide is CC(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-propan-2-ylpentanamide?
The InChIKey is QAGMCTKHKRSVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F2NO/c1-12(2)21-17(22)14(11-18(3,4)5)7-6-13-8-15(19)10-16(20)9-13/h8-10,12,14H,6-7,11H2,1-5H3,(H,21,22).
What are the key properties of 2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-propan-2-ylpentanamide?
2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-propan-2-ylpentanamide has a molecular weight of 311.42 g/mol, XLogP of 4.47, 6 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-propan-2-ylpentanamide is sourced from PubChem (CID 59164349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).