2-(cyclobutylmethyl)-4-(3,5-difluorophenyl)-N-methylbutanamide

C16H21F2NO — CID 70921105

IUPAC2-(cyclobutylmethyl)-4-(3,5-difluorophenyl)-N-methylbutanamide
SMILESCNC(=O)C(CCc1cc(F)cc(F)c1)CC1CCC1
InChIInChI=1S/C16H21F2NO/c1-19-16(20)13(7-11-3-2-4-11)6-5-12-8-14(17)10-15(18)9-12/h8-11,13H,2-7H2,1H3,(H,19,20)
InChIKeyQWGHVWKXSBFZSL-UHFFFAOYSA-N
MW281.35 g/mol
LogP3.45
Rot. Bonds6

About 2-(cyclobutylmethyl)-4-(3,5-difluorophenyl)-N-methylbutanamide

2-(cyclobutylmethyl)-4-(3,5-difluorophenyl)-N-methylbutanamide (PubChem CID 70921105) has the molecular formula C16H21F2NO and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-4-(3,5-difluorophenyl)-N-methylbutanamide.

Molecular Properties

Compound Name2-(cyclobutylmethyl)-4-(3,5-difluorophenyl)-N-methylbutanamide
PubChem CID70921105
Molecular FormulaC16H21F2NO
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-(cyclobutylmethyl)-4-(3,5-difluorophenyl)-N-methylbutanamide
SMILESCNC(=O)C(CCc1cc(F)cc(F)c1)CC1CCC1
InChIInChI=1S/C16H21F2NO/c1-19-16(20)13(7-11-3-2-4-11)6-5-12-8-14(17)10-15(18)9-12/h8-11,13H,2-7H2,1H3,(H,19,20)
InChIKeyQWGHVWKXSBFZSL-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylmethyl)-4-(3,5-difluorophenyl)-N-methylbutanamide?
The IUPAC name of 2-(cyclobutylmethyl)-4-(3,5-difluorophenyl)-N-methylbutanamide (CID 70921105) is 2-(cyclobutylmethyl)-4-(3,5-difluorophenyl)-N-methylbutanamide.
What is the SMILES notation for 2-(cyclobutylmethyl)-4-(3,5-difluorophenyl)-N-methylbutanamide?
The canonical SMILES for 2-(cyclobutylmethyl)-4-(3,5-difluorophenyl)-N-methylbutanamide is CNC(=O)C(CCc1cc(F)cc(F)c1)CC1CCC1.
What is the InChIKey of 2-(cyclobutylmethyl)-4-(3,5-difluorophenyl)-N-methylbutanamide?
The InChIKey is QWGHVWKXSBFZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F2NO/c1-19-16(20)13(7-11-3-2-4-11)6-5-12-8-14(17)10-15(18)9-12/h8-11,13H,2-7H2,1H3,(H,19,20).
What are the key properties of 2-(cyclobutylmethyl)-4-(3,5-difluorophenyl)-N-methylbutanamide?
2-(cyclobutylmethyl)-4-(3,5-difluorophenyl)-N-methylbutanamide has a molecular weight of 281.35 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylmethyl)-4-(3,5-difluorophenyl)-N-methylbutanamide is sourced from PubChem (CID 70921105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).