N-[(3R)-oxan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide

C17H20F3NO2 — CID 126813305

IUPACN-[(3R)-oxan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1CCCOC1)C1(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H20F3NO2/c18-17(19,20)13-5-3-12(4-6-13)10-16(7-8-16)15(22)21-14-2-1-9-23-11-14/h3-6,14H,1-2,7-11H2,(H,21,22)/t14-/m1/s1
InChIKeySGJQZXKVRNEWNZ-CQSZACIVSA-N
MW327.35 g/mol
LogP3.32
Rot. Bonds4

About N-[(3R)-oxan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide

N-[(3R)-oxan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide (PubChem CID 126813305) has the molecular formula C17H20F3NO2 and a molecular weight of 327.35 g/mol. Its IUPAC name is N-[(3R)-oxan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(3R)-oxan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
PubChem CID126813305
Molecular FormulaC17H20F3NO2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC NameN-[(3R)-oxan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide
SMILESO=C(N[C@@H]1CCCOC1)C1(Cc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C17H20F3NO2/c18-17(19,20)13-5-3-12(4-6-13)10-16(7-8-16)15(22)21-14-2-1-9-23-11-14/h3-6,14H,1-2,7-11H2,(H,21,22)/t14-/m1/s1
InChIKeySGJQZXKVRNEWNZ-CQSZACIVSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[4-(2-methoxyphenyl)phenyl]methyl]-N-[(3S)-oxan-3-yl]oxane-4-carboxamide
CID 129458009
4-[[4-(trifluoromethyl)phenyl]methyl]oxane-4-carboxylic acid
CID 62906139
4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide
CID 63363409
N-cyclohexyl-4-[(4-pyridin-4-ylphenyl)methyl]oxane-4-carboxamide
CID 110082796
4-[[3-(5-fluoro-2-methoxyphenyl)phenyl]methyl]-N-[(3R)-oxan-3-yl]oxane-4-carboxamide
CID 129457040
3-ethyl-N-(oxan-3-yl)pyrrolidine-3-carboxamide
CID 63361296
2,2,2-trifluoroethyl N-(oxan-3-yl)carbamate
CID 63598108
1-(oxolan-3-yl)-3-[2-[4-(trifluoromethyl)phenoxy]ethyl]urea
CID 71911048
N-[(3S)-oxan-3-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 124606510
(3S)-N-[[1-[4-(trifluoromethyl)phenyl]cyclopropyl]methyl]oxolan-3-amine
CID 99823064
(E)-3-(4-tert-butylphenyl)-N-(oxan-3-yl)prop-2-enamide
CID 56559146
N-(4-aminocyclohexyl)-1-benzylcyclopropane-1-carboxamide
CID 119477938

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-oxan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The IUPAC name of N-[(3R)-oxan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide (CID 126813305) is N-[(3R)-oxan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(3R)-oxan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The canonical SMILES for N-[(3R)-oxan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide is O=C(N[C@@H]1CCCOC1)C1(Cc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[(3R)-oxan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide?
The InChIKey is SGJQZXKVRNEWNZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H20F3NO2/c18-17(19,20)13-5-3-12(4-6-13)10-16(7-8-16)15(22)21-14-2-1-9-23-11-14/h3-6,14H,1-2,7-11H2,(H,21,22)/t14-/m1/s1.
What are the key properties of N-[(3R)-oxan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide?
N-[(3R)-oxan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 327.35 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-oxan-3-yl]-1-[[4-(trifluoromethyl)phenyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 126813305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).