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

C17H25F2NO2 — CID 21366270

IUPAC2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)C(CC(C)(C)C)OCc1cc(F)cc(F)c1
InChIInChI=1S/C17H25F2NO2/c1-11(2)20-16(21)15(9-17(3,4)5)22-10-12-6-13(18)8-14(19)7-12/h6-8,11,15H,9-10H2,1-5H3,(H,20,21)
InChIKeyLRVRQADANCYDTC-UHFFFAOYSA-N
MW313.39 g/mol
LogP3.81
Rot. Bonds6

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

2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide (PubChem CID 21366270) has the molecular formula C17H25F2NO2 and a molecular weight of 313.39 g/mol. Its IUPAC name is 2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide.

Molecular Properties

Compound Name2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide
PubChem CID21366270
Molecular FormulaC17H25F2NO2
Molecular Weight313.39 g/mol
Exact Mass313.19
IUPAC Name2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide
SMILESCC(C)NC(=O)C(CC(C)(C)C)OCc1cc(F)cc(F)c1
InChIInChI=1S/C17H25F2NO2/c1-11(2)20-16(21)15(9-17(3,4)5)22-10-12-6-13(18)8-14(19)7-12/h6-8,11,15H,9-10H2,1-5H3,(H,20,21)
InChIKeyLRVRQADANCYDTC-UHFFFAOYSA-N
XLogP3.81
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-propan-2-ylpentanamide
CID 59164349
N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-4-methylpentanamide
CID 20790193
N-tert-butyl-2-[(3,5-difluorophenyl)methoxy]-3-methylbutanamide
CID 20790190
2-[2-(3,5-difluorophenyl)ethyl]-N,3,3-trimethylbutanamide
CID 70921104
tert-butyl (2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoate
CID 163198765
methyl 2-[2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoylamino]acetate
CID 22491961
N-tert-butyl-2-[(3,5-difluorophenyl)methylamino]propanamide
CID 115579695
1-(butan-2-yloxymethyl)-3,5-difluorobenzene
CID 169144381
2-[2-(3,5-difluorophenyl)ethyl]-4,4-dimethyl-N-(2-methylbutan-2-yl)pentanamide
CID 71091886
(2R)-2-[[2-(3,5-difluorophenyl)acetyl]amino]propanoic acid
CID 58627720
3-[(3,5-difluorophenyl)methoxy]-N-propan-2-ylpiperidine-1-carboxamide
CID 46029174
N-[(3,5-difluorophenyl)methyl]-2-methylpropanamide
CID 58862460

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide?
The IUPAC name of 2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide (CID 21366270) is 2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide.
What is the SMILES notation for 2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide?
The canonical SMILES for 2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide is CC(C)NC(=O)C(CC(C)(C)C)OCc1cc(F)cc(F)c1.
What is the InChIKey of 2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide?
The InChIKey is LRVRQADANCYDTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F2NO2/c1-11(2)20-16(21)15(9-17(3,4)5)22-10-12-6-13(18)8-14(19)7-12/h6-8,11,15H,9-10H2,1-5H3,(H,20,21).
What are the key properties of 2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide?
2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide has a molecular weight of 313.39 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-difluorophenyl)methoxy]-4,4-dimethyl-N-propan-2-ylpentanamide is sourced from PubChem (CID 21366270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).