(3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propanamide

C17H14F6N2O — CID 140609961

IUPAC(3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C(N)=O)[C@@H](c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F
InChIInChI=1S/C17H14F6N2O/c1-9(15(24)26)13(10-4-6-11(7-5-10)16(18,19)20)14-12(17(21,22)23)3-2-8-25-14/h2-9,13H,1H3,(H2,24,26)/t9?,13-/m0/s1
InChIKeyYIFJYJZAYKVLMO-NCWAPJAISA-N
MW376.30 g/mol
LogP4.37
Rot. Bonds4

About (3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propanamide

(3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propanamide (PubChem CID 140609961) has the molecular formula C17H14F6N2O and a molecular weight of 376.30 g/mol. Its IUPAC name is (3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name(3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propanamide
PubChem CID140609961
Molecular FormulaC17H14F6N2O
Molecular Weight376.30 g/mol
Exact Mass376.10
IUPAC Name(3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propanamide
SMILESCC(C(N)=O)[C@@H](c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F
InChIInChI=1S/C17H14F6N2O/c1-9(15(24)26)13(10-4-6-11(7-5-10)16(18,19)20)14-12(17(21,22)23)3-2-8-25-14/h2-9,13H,1H3,(H2,24,26)/t9?,13-/m0/s1
InChIKeyYIFJYJZAYKVLMO-NCWAPJAISA-N
XLogP4.37
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.30
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(2S)-3-methylbutan-2-yl]-3-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 89310502
methyl (2S)-3-methyl-2-[[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamoylamino]butanoate
CID 89310762
methyl 3-methyl-2-[[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamoylamino]butanoate
CID 89310763
2-propan-2-yl-3-(trifluoromethyl)pyridine
CID 59735101
N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-4-carboxamide
CID 89310572
4-methyl-N-[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]benzamide
CID 123503906
(1S)-1-[3-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 131017310
(1S)-4-methoxy-4-methyl-1-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]pentan-3-one
CID 149099774
ethyl 3-methyl-2-[[[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamoylamino]butanoate
CID 89310785
methyl 2-[[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)-2-pyridinyl]methyl]carbamoylamino]butanoate
CID 159164409
(1S,5S)-5-(4-methoxyphenyl)-1-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]hexan-3-one
CID 149138242
(1S)-7-phenyl-1-[4-(trifluoromethyl)phenyl]-1-[3-(trifluoromethyl)-2-pyridinyl]heptan-3-one
CID 147330985

Frequently Asked Questions

What is the IUPAC name of (3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propanamide?
The IUPAC name of (3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propanamide (CID 140609961) is (3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propanamide.
What is the SMILES notation for (3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propanamide?
The canonical SMILES for (3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propanamide is CC(C(N)=O)[C@@H](c1ccc(C(F)(F)F)cc1)c1ncccc1C(F)(F)F.
What is the InChIKey of (3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propanamide?
The InChIKey is YIFJYJZAYKVLMO-NCWAPJAISA-N. The full InChI is InChI=1S/C17H14F6N2O/c1-9(15(24)26)13(10-4-6-11(7-5-10)16(18,19)20)14-12(17(21,22)23)3-2-8-25-14/h2-9,13H,1H3,(H2,24,26)/t9?,13-/m0/s1.
What are the key properties of (3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propanamide?
(3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propanamide has a molecular weight of 376.30 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2-methyl-3-[4-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)-2-pyridinyl]propanamide is sourced from PubChem (CID 140609961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).