4-(2,2-difluoropropoxy)-3-methyl-N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]benzamide

C21H24F2N2O3 — CID 159254658

IUPAC4-(2,2-difluoropropoxy)-3-methyl-N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]benzamide
SMILESCC(=O)Cc1cc(C(C)NC(=O)c2ccc(OCC(C)(F)F)c(C)c2)ccn1
InChIInChI=1S/C21H24F2N2O3/c1-13-9-17(5-6-19(13)28-12-21(4,22)23)20(27)25-15(3)16-7-8-24-18(11-16)10-14(2)26/h5-9,11,15H,10,12H2,1-4H3,(H,25,27)
InChIKeyKVSUSSGEMNPQLJ-UHFFFAOYSA-N
MW390.43 g/mol
LogP4.05
Rot. Bonds8

About 4-(2,2-difluoropropoxy)-3-methyl-N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]benzamide

4-(2,2-difluoropropoxy)-3-methyl-N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]benzamide (PubChem CID 159254658) has the molecular formula C21H24F2N2O3 and a molecular weight of 390.43 g/mol. Its IUPAC name is 4-(2,2-difluoropropoxy)-3-methyl-N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(2,2-difluoropropoxy)-3-methyl-N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]benzamide
PubChem CID159254658
Molecular FormulaC21H24F2N2O3
Molecular Weight390.43 g/mol
Exact Mass390.18
IUPAC Name4-(2,2-difluoropropoxy)-3-methyl-N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]benzamide
SMILESCC(=O)Cc1cc(C(C)NC(=O)c2ccc(OCC(C)(F)F)c(C)c2)ccn1
InChIInChI=1S/C21H24F2N2O3/c1-13-9-17(5-6-19(13)28-12-21(4,22)23)20(27)25-15(3)16-7-8-24-18(11-16)10-14(2)26/h5-9,11,15H,10,12H2,1-4H3,(H,25,27)
InChIKeyKVSUSSGEMNPQLJ-UHFFFAOYSA-N
XLogP4.05
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.43
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-(2,2-difluoropropoxy)-N-[1-[2-(3-methyl-2-oxobutyl)-4-pyridinyl]ethyl]benzamide
CID 157494045
N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]-2,6-bis(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 160559114
5-(2,2-difluoropropoxy)-4-methyl-N-[1-[2-(methylamino)-4-pyridinyl]ethyl]pyridine-2-carboxamide
CID 138702935
N-[1-[3-chloro-4-(2,2,2-trifluoroethoxy)phenyl]ethyl]-2-methyl-6-(2-oxopropyl)pyridine-4-carboxamide
CID 147481344
N-[1-[2-(2-cyclopropyl-2-oxoethyl)-4-pyridinyl]ethyl]-6-methyl-5-(2,2,2-trifluoroethoxy)pyridine-2-carboxamide
CID 149459671
N-[1-[6-(2,2-difluoropropoxy)-3-pyridinyl]ethyl]-2-methylpyridine-4-carboxamide
CID 174687500
3-chloro-N-[1-[2-methyl-6-(2-oxopropyl)-4-pyridinyl]ethyl]-4-(trifluoromethoxy)benzamide
CID 157398028
N-[1-[4-(2,2-difluoroethoxy)-3-methoxyphenyl]ethyl]-2-(3-methyl-2-oxobutyl)pyridine-4-carboxamide
CID 158862162
N-[(1S)-1-(4-bromophenyl)ethyl]-4-ethoxy-3-methylbenzamide
CID 28558276
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
N-[1-[2-fluoro-5-(trifluoromethyl)phenyl]ethyl]-2-(2-oxopropyl)pyridine-4-carboxamide
CID 158051254
4-ethoxy-3-methyl-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 28558297

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropoxy)-3-methyl-N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]benzamide?
The IUPAC name of 4-(2,2-difluoropropoxy)-3-methyl-N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]benzamide (CID 159254658) is 4-(2,2-difluoropropoxy)-3-methyl-N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]benzamide.
What is the SMILES notation for 4-(2,2-difluoropropoxy)-3-methyl-N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]benzamide?
The canonical SMILES for 4-(2,2-difluoropropoxy)-3-methyl-N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]benzamide is CC(=O)Cc1cc(C(C)NC(=O)c2ccc(OCC(C)(F)F)c(C)c2)ccn1.
What is the InChIKey of 4-(2,2-difluoropropoxy)-3-methyl-N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]benzamide?
The InChIKey is KVSUSSGEMNPQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N2O3/c1-13-9-17(5-6-19(13)28-12-21(4,22)23)20(27)25-15(3)16-7-8-24-18(11-16)10-14(2)26/h5-9,11,15H,10,12H2,1-4H3,(H,25,27).
What are the key properties of 4-(2,2-difluoropropoxy)-3-methyl-N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]benzamide?
4-(2,2-difluoropropoxy)-3-methyl-N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]benzamide has a molecular weight of 390.43 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropoxy)-3-methyl-N-[1-[2-(2-oxopropyl)-4-pyridinyl]ethyl]benzamide is sourced from PubChem (CID 159254658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).