3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide

C19H18ClF3N2O3 — CID 157398028

IUPAC3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
SMILESCC(=O)Cc1cc(C(C)NC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)cc(C)n1
InChIInChI=1S/C19H18ClF3N2O3/c1-10-6-14(8-15(24-10)7-11(2)26)12(3)25-18(27)13-4-5-17(16(20)9-13)28-19(21,22)23/h4-6,8-9,12H,7H2,1-3H3,(H,25,27)
InChIKeyBMUQGPKULSOHSH-UHFFFAOYSA-N
MW414.81 g/mol
LogP4.56
Rot. Bonds6

About 3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide

3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide (PubChem CID 157398028) has the molecular formula C19H18ClF3N2O3 and a molecular weight of 414.81 g/mol. Its IUPAC name is 3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
PubChem CID157398028
Molecular FormulaC19H18ClF3N2O3
Molecular Weight414.81 g/mol
Exact Mass414.10
IUPAC Name3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
SMILESCC(=O)Cc1cc(C(C)NC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)cc(C)n1
InChIInChI=1S/C19H18ClF3N2O3/c1-10-6-14(8-15(24-10)7-11(2)26)12(3)25-18(27)13-4-5-17(16(20)9-13)28-19(21,22)23/h4-6,8-9,12H,7H2,1-3H3,(H,25,27)
InChIKeyBMUQGPKULSOHSH-UHFFFAOYSA-N
XLogP4.56
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.81
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 147481344
2-methoxy-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 160624082
N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-6-(2,2,3,3,3-pentafluoropropoxy)pyridazine-3-carboxamide
CID 159042117
3-chloro-4-(2,2-difluoropropoxy)-N-[1-[2-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]benzamide
CID 157494045
4-(2,2-difluoropropoxy)-3-methyl-N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]benzamide
CID 159254658
3-chloro-N-[1-(3,4-dimethylphenyl)ethyl]-4-methoxybenzamide
CID 133187560
N-[1-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 161085351
2-(2-cyclopropyl-2-oxoethyl)-6-methyl-N-[1-[3-(trifluoromethoxy)phenyl]ethyl]pyridine-4-carboxamide
CID 159988317
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 159204879
N-[[2-fluoro-3-(trifluoromethoxy)phenyl]methyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 158165691
3-chloro-N-[1-(4-ethylphenyl)ethyl]-4-methoxybenzamide
CID 133210299
N-[(1R)-1-[3-chloro-4-(trifluoromethoxy)phenyl]ethyl]-2-(dimethylamino)-6-oxo-1H-pyrimidine-4-carboxamide
CID 137146211

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of 3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide (CID 157398028) is 3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide is CC(=O)Cc1cc(C(C)NC(=O)c2ccc(OC(F)(F)F)c(Cl)c2)cc(C)n1.
What is the InChIKey of 3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is BMUQGPKULSOHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O3/c1-10-6-14(8-15(24-10)7-11(2)26)12(3)25-18(27)13-4-5-17(16(20)9-13)28-19(21,22)23/h4-6,8-9,12H,7H2,1-3H3,(H,25,27).
What are the key properties of 3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide?
3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 414.81 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 157398028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).