(3R)-N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolane-3-carboxamide

C16H17F4NO2 — CID 99826674

IUPAC(3R)-N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)[C@@H]1CCOC1
InChIInChI=1S/C16H17F4NO2/c17-13-6-11(5-12(7-13)16(18,19)20)15(2-3-15)9-21-14(22)10-1-4-23-8-10/h5-7,10H,1-4,8-9H2,(H,21,22)/t10-/m1/s1
InChIKeyDHQQNIRGOFNXQA-SNVBAGLBSA-N
MW331.31 g/mol
LogP3.03
Rot. Bonds4

About (3R)-N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolane-3-carboxamide

(3R)-N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolane-3-carboxamide (PubChem CID 99826674) has the molecular formula C16H17F4NO2 and a molecular weight of 331.31 g/mol. Its IUPAC name is (3R)-N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolane-3-carboxamide
PubChem CID99826674
Molecular FormulaC16H17F4NO2
Molecular Weight331.31 g/mol
Exact Mass331.12
IUPAC Name(3R)-N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolane-3-carboxamide
SMILESO=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)[C@@H]1CCOC1
InChIInChI=1S/C16H17F4NO2/c17-13-6-11(5-12(7-13)16(18,19)20)15(2-3-15)9-21-14(22)10-1-4-23-8-10/h5-7,10H,1-4,8-9H2,(H,21,22)/t10-/m1/s1
InChIKeyDHQQNIRGOFNXQA-SNVBAGLBSA-N
XLogP3.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(1-phenylcyclopentyl)methyl]oxolane-3-carboxamide
CID 95272452
1-cyclopropyl-3-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2-methylguanidine
CID 122082045
N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]-2-(1H-pyrazol-4-yl)acetamide
CID 166268545
N-(2,2,2-trifluoroethyl)oxolane-3-carboxamide
CID 126987345
3-amino-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]cyclohexane-1-carboxamide
CID 119749716
[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methanamine
CID 75509980
(2S,4S)-2-methyl-N-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120630724
N-[(4-hydroxyoxan-4-yl)methyl]oxolane-3-carboxamide
CID 79039521
(3S)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolan-3-amine
CID 99823064
N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]oxolane-3-carboxamide;hydrochloride
CID 120605354
N-[[1-(4,6-difluoro-1,3-benzothiazol-2-yl)-4-fluoropiperidin-4-yl]methyl]oxolane-3-carboxamide
CID 165433346
N-[(1-phenylcyclohexyl)methyl]oxane-4-carboxamide
CID 51078296

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolane-3-carboxamide?
The IUPAC name of (3R)-N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolane-3-carboxamide (CID 99826674) is (3R)-N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for (3R)-N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for (3R)-N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolane-3-carboxamide is O=C(NCC1(c2cc(F)cc(C(F)(F)F)c2)CC1)[C@@H]1CCOC1.
What is the InChIKey of (3R)-N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolane-3-carboxamide?
The InChIKey is DHQQNIRGOFNXQA-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H17F4NO2/c17-13-6-11(5-12(7-13)16(18,19)20)15(2-3-15)9-21-14(22)10-1-4-23-8-10/h5-7,10H,1-4,8-9H2,(H,21,22)/t10-/m1/s1.
What are the key properties of (3R)-N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolane-3-carboxamide?
(3R)-N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolane-3-carboxamide has a molecular weight of 331.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[[1-[3-fluoro-5-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 99826674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).