N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide

C17H18F2N2O3 — CID 111102845

IUPACN-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)NCC(O)COc1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2O3/c18-15-5-4-14(8-16(15)19)24-11-13(22)10-21-17(23)6-3-12-2-1-7-20-9-12/h1-2,4-5,7-9,13,22H,3,6,10-11H2,(H,21,23)
InChIKeyUNFHSHHADLMDFO-UHFFFAOYSA-N
MW336.34 g/mol
LogP1.85
Rot. Bonds8

About N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide

N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide (PubChem CID 111102845) has the molecular formula C17H18F2N2O3 and a molecular weight of 336.34 g/mol. Its IUPAC name is N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide
PubChem CID111102845
Molecular FormulaC17H18F2N2O3
Molecular Weight336.34 g/mol
Exact Mass336.13
IUPAC NameN-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide
SMILESO=C(CCc1cccnc1)NCC(O)COc1ccc(F)c(F)c1
InChIInChI=1S/C17H18F2N2O3/c18-15-5-4-14(8-16(15)19)24-11-13(22)10-21-17(23)6-3-12-2-1-7-20-9-12/h1-2,4-5,7-9,13,22H,3,6,10-11H2,(H,21,23)
InChIKeyUNFHSHHADLMDFO-UHFFFAOYSA-N
XLogP1.85
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.34
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-3-(3-methylphenoxy)propyl]-3-pyridin-3-ylpropanamide
CID 110904510
3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide
CID 119319079
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-(2-methylphenyl)propanamide
CID 111102907
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 111102918
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-3-pyridin-3-ylpropanamide
CID 111566159
N-(3,3-difluoro-2-hydroxypropyl)-3-pyridin-3-ylpropanamide
CID 103769874
3-(3,4-difluorophenyl)-N-(2-hydroxy-3-phenylpropyl)propanamide
CID 111102768
(2S)-1-(3,4-difluorophenoxy)-N-(pyridin-3-ylmethyl)propan-2-amine
CID 97321622
N-(2-ethylbutyl)-3-pyridin-3-ylpropanamide
CID 115612776
2-[cyclopropyl(methyl)amino]-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]acetamide
CID 111102915
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 111110946
1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide
CID 119775896

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide (CID 111102845) is N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide is O=C(CCc1cccnc1)NCC(O)COc1ccc(F)c(F)c1.
What is the InChIKey of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide?
The InChIKey is UNFHSHHADLMDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2O3/c18-15-5-4-14(8-16(15)19)24-11-13(22)10-21-17(23)6-3-12-2-1-7-20-9-12/h1-2,4-5,7-9,13,22H,3,6,10-11H2,(H,21,23).
What are the key properties of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide?
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide has a molecular weight of 336.34 g/mol, XLogP of 1.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 111102845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).