(2S)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-methoxyphenyl)methyl]propanamide

C17H16ClF3N2O3 — CID 2110344

IUPAC(2S)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)n2cc(C(F)(F)F)cc(Cl)c2=O)cc1
InChIInChI=1S/C17H16ClF3N2O3/c1-10(15(24)22-8-11-3-5-13(26-2)6-4-11)23-9-12(17(19,20)21)7-14(18)16(23)25/h3-7,9-10H,8H2,1-2H3,(H,22,24)/t10-/m0/s1
InChIKeyDPHQEVHADJZVPS-JTQLQIEISA-N
MW388.77 g/mol
LogP3.41
Rot. Bonds5

About (2S)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-methoxyphenyl)methyl]propanamide

(2S)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-methoxyphenyl)methyl]propanamide (PubChem CID 2110344) has the molecular formula C17H16ClF3N2O3 and a molecular weight of 388.77 g/mol. Its IUPAC name is (2S)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-methoxyphenyl)methyl]propanamide
PubChem CID2110344
Molecular FormulaC17H16ClF3N2O3
Molecular Weight388.77 g/mol
Exact Mass388.08
IUPAC Name(2S)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-methoxyphenyl)methyl]propanamide
SMILESCOc1ccc(CNC(=O)[C@H](C)n2cc(C(F)(F)F)cc(Cl)c2=O)cc1
InChIInChI=1S/C17H16ClF3N2O3/c1-10(15(24)22-8-11-3-5-13(26-2)6-4-11)23-9-12(17(19,20)21)7-14(18)16(23)25/h3-7,9-10H,8H2,1-2H3,(H,22,24)/t10-/m0/s1
InChIKeyDPHQEVHADJZVPS-JTQLQIEISA-N
XLogP3.41
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.77
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-methoxyphenyl)methyl]propanamide with MolForge

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Related Compounds

methyl 4-[[[2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]methyl]benzoate
CID 18273639
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-methyl-[[4-(trifluoromethyl)phenyl]methyl]azanium
CID 8595557
(2S)-N-[(4-methoxyphenyl)methyl]-2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]propanamide
CID 8595558
[(1S)-1-(2,4-dichloro-5-fluorophenyl)ethyl]-[(2R)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]azanium
CID 8639404
(E)-3-[2-chloro-5-(trifluoromethyl)phenyl]-N-[(4-methoxyphenyl)methyl]prop-2-enamide
CID 7959642
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740
(2R)-2-(azocan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2539196
(2S)-2-amino-N-[(4-methoxyphenyl)methyl]propanamide
CID 22690461
N-(benzylcarbamoyl)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 5181987
(2S)-N-[(4-methoxyphenyl)methyl]-2-(4-methylpiperazin-1-yl)propanamide
CID 1439182
(2S)-N-[(4-methoxyphenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 34950547

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-methoxyphenyl)methyl]propanamide?
The IUPAC name of (2S)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-methoxyphenyl)methyl]propanamide (CID 2110344) is (2S)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-methoxyphenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-methoxyphenyl)methyl]propanamide is COc1ccc(CNC(=O)[C@H](C)n2cc(C(F)(F)F)cc(Cl)c2=O)cc1.
What is the InChIKey of (2S)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-methoxyphenyl)methyl]propanamide?
The InChIKey is DPHQEVHADJZVPS-JTQLQIEISA-N. The full InChI is InChI=1S/C17H16ClF3N2O3/c1-10(15(24)22-8-11-3-5-13(26-2)6-4-11)23-9-12(17(19,20)21)7-14(18)16(23)25/h3-7,9-10H,8H2,1-2H3,(H,22,24)/t10-/m0/s1.
What are the key properties of (2S)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-methoxyphenyl)methyl]propanamide?
(2S)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-methoxyphenyl)methyl]propanamide has a molecular weight of 388.77 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[(4-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 2110344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).