N-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-propyloxane-4-carboxamide

C18H25F2NO3 — CID 110022037

IUPACN-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-propyloxane-4-carboxamide
SMILESCCCC1CC(C(=O)NC(C)C(O)c2ccc(F)c(F)c2)CCO1
InChIInChI=1S/C18H25F2NO3/c1-3-4-14-9-13(7-8-24-14)18(23)21-11(2)17(22)12-5-6-15(19)16(20)10-12/h5-6,10-11,13-14,17,22H,3-4,7-9H2,1-2H3,(H,21,23)
InChIKeyLIFJAQGZZHUTMT-UHFFFAOYSA-N
MW341.40 g/mol
LogP3.10
Rot. Bonds6

About N-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-propyloxane-4-carboxamide

N-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-propyloxane-4-carboxamide (PubChem CID 110022037) has the molecular formula C18H25F2NO3 and a molecular weight of 341.40 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-propyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-propyloxane-4-carboxamide
PubChem CID110022037
Molecular FormulaC18H25F2NO3
Molecular Weight341.40 g/mol
Exact Mass341.18
IUPAC NameN-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-propyloxane-4-carboxamide
SMILESCCCC1CC(C(=O)NC(C)C(O)c2ccc(F)c(F)c2)CCO1
InChIInChI=1S/C18H25F2NO3/c1-3-4-14-9-13(7-8-24-14)18(23)21-11(2)17(22)12-5-6-15(19)16(20)10-12/h5-6,10-11,13-14,17,22H,3-4,7-9H2,1-2H3,(H,21,23)
InChIKeyLIFJAQGZZHUTMT-UHFFFAOYSA-N
XLogP3.10
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-hydroxy-1-phenylethyl]-2-propyloxane-4-carboxamide
CID 110022005
(2R,4R)-N-[(S)-cyano-(2,4-difluorophenyl)methyl]-2-propyloxane-4-carboxamide
CID 98877522
1-(3,4-difluorophenyl)-2-(oxolan-2-ylmethylamino)propan-1-ol
CID 82316272
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95325759
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95325731
1-(3,4-difluorophenyl)-2-(propylamino)propan-1-ol
CID 82316258
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-3-methyl-2-[[(2S)-oxolan-2-yl]methoxy]butanamide
CID 52539512
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[2-[ethyl(propan-2-yl)amino]ethyl]urea
CID 111751065
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-propyloxan-4-amine
CID 81352507
2-(cyclohexylamino)-1-(3,4-difluorophenyl)propan-1-ol
CID 82316270
1-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-3-[(2-methylpyrazol-3-yl)methyl]urea
CID 111751041
(1S,5R)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-9-oxobicyclo[3.3.1]nonane-3-carboxamide
CID 26526461

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-propyloxane-4-carboxamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-propyloxane-4-carboxamide (CID 110022037) is N-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-propyloxane-4-carboxamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-propyloxane-4-carboxamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-propyloxane-4-carboxamide is CCCC1CC(C(=O)NC(C)C(O)c2ccc(F)c(F)c2)CCO1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-propyloxane-4-carboxamide?
The InChIKey is LIFJAQGZZHUTMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2NO3/c1-3-4-14-9-13(7-8-24-14)18(23)21-11(2)17(22)12-5-6-15(19)16(20)10-12/h5-6,10-11,13-14,17,22H,3-4,7-9H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-propyloxane-4-carboxamide?
N-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-propyloxane-4-carboxamide has a molecular weight of 341.40 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)-1-hydroxypropan-2-yl]-2-propyloxane-4-carboxamide is sourced from PubChem (CID 110022037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).