N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide

C16H22FNO2 — CID 71862058

IUPACN-[1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide
SMILESCC(C)(C)C(NC(=O)C1CCOC1)c1cccc(F)c1
InChIInChI=1S/C16H22FNO2/c1-16(2,3)14(11-5-4-6-13(17)9-11)18-15(19)12-7-8-20-10-12/h4-6,9,12,14H,7-8,10H2,1-3H3,(H,18,19)
InChIKeyVDSNHCRQKRYHRH-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.07
Rot. Bonds3

About N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide

N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide (PubChem CID 71862058) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide
PubChem CID71862058
Molecular FormulaC16H22FNO2
Molecular Weight279.35 g/mol
Exact Mass279.16
IUPAC NameN-[1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide
SMILESCC(C)(C)C(NC(=O)C1CCOC1)c1cccc(F)c1
InChIInChI=1S/C16H22FNO2/c1-16(2,3)14(11-5-4-6-13(17)9-11)18-15(19)12-7-8-20-10-12/h4-6,9,12,14H,7-8,10H2,1-3H3,(H,18,19)
InChIKeyVDSNHCRQKRYHRH-UHFFFAOYSA-N
XLogP3.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[(1R)-1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide
CID 96529069
N-[1-(3-fluorophenyl)ethyl]cyclopropanecarboxamide
CID 60630491
[1-(3-fluorophenyl)-2,2-dimethyl-3-oxopropyl]carbamic acid
CID 130385199
(3R)-3-(4-fluorophenyl)-3-[[(3R)-oxolane-3-carbonyl]amino]propanoic acid
CID 124704267
(3R)-N-[(1S)-1-(2,4-difluorophenyl)butyl]oxolane-3-carboxamide
CID 97098048
3-[3-[1-(oxolane-3-carbonylamino)ethyl]phenyl]prop-2-enoic acid
CID 76907581
(3R)-N-[(S)-(4-tert-butylphenyl)-cyanomethyl]oxolane-3-carboxamide
CID 95617394
N-[2-methyl-1-[3-(trifluoromethyl)phenyl]propyl]oxane-4-carboxamide
CID 51107956
N-[1-[3-[[2-(2-fluorophenyl)acetyl]amino]phenyl]ethyl]oxolane-3-carboxamide
CID 86849698
(3R)-N-(2,4-dimethylpentan-3-yl)oxolane-3-carboxamide
CID 169193374
N-[(1S)-3-[5-(1-cyclobutyl-3,5-dimethylpyrazole-4-carbonyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(3-fluorophenyl)propyl]oxolane-3-carboxamide
CID 140518501
(3R)-N-[(R)-phenyl(pyridin-4-yl)methyl]oxolane-3-carboxamide
CID 95271888

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide?
The IUPAC name of N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide (CID 71862058) is N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide?
The canonical SMILES for N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide is CC(C)(C)C(NC(=O)C1CCOC1)c1cccc(F)c1.
What is the InChIKey of N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide?
The InChIKey is VDSNHCRQKRYHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-16(2,3)14(11-5-4-6-13(17)9-11)18-15(19)12-7-8-20-10-12/h4-6,9,12,14H,7-8,10H2,1-3H3,(H,18,19).
What are the key properties of N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide?
N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide has a molecular weight of 279.35 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)-2,2-dimethylpropyl]oxolane-3-carboxamide is sourced from PubChem (CID 71862058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).