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

C14H17F2NO3 — CID 111102858

IUPACN-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide
SMILESO=C(NCC(O)COc1ccc(F)c(F)c1)C1CCC1
InChIInChI=1S/C14H17F2NO3/c15-12-5-4-11(6-13(12)16)20-8-10(18)7-17-14(19)9-2-1-3-9/h4-6,9-10,18H,1-3,7-8H2,(H,17,19)
InChIKeyDSZZXPCIYBJPRU-UHFFFAOYSA-N
MW285.29 g/mol
LogP1.62
Rot. Bonds6

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

N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide (PubChem CID 111102858) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide
PubChem CID111102858
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC NameN-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide
SMILESO=C(NCC(O)COc1ccc(F)c(F)c1)C1CCC1
InChIInChI=1S/C14H17F2NO3/c15-12-5-4-11(6-13(12)16)20-8-10(18)7-17-14(19)9-2-1-3-9/h4-6,9-10,18H,1-3,7-8H2,(H,17,19)
InChIKeyDSZZXPCIYBJPRU-UHFFFAOYSA-N
XLogP1.62
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclohexanecarboxamide
CID 111102881
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]piperidine-2-carboxamide;hydrochloride
CID 119319070
1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea
CID 111103979
1-(cyclopentylamino)-3-(3,4-difluorophenoxy)propan-2-ol
CID 111104815
N-[(2R)-2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propyl]cyclopentanecarboxamide
CID 94678482
2-[cyclopropyl(methyl)amino]-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]acetamide
CID 111102915
1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide
CID 119775896
3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide
CID 119319079
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]piperidine-3-carboxamide
CID 119305008
(2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide
CID 71849233
(2S)-2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylbutanamide;hydrochloride
CID 119319094
cis-(1S,3R)-3-[2-(3,4-difluorophenoxy)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 124614733

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide?
The IUPAC name of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide (CID 111102858) is N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide?
The canonical SMILES for N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide is O=C(NCC(O)COc1ccc(F)c(F)c1)C1CCC1.
What is the InChIKey of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide?
The InChIKey is DSZZXPCIYBJPRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c15-12-5-4-11(6-13(12)16)20-8-10(18)7-17-14(19)9-2-1-3-9/h4-6,9-10,18H,1-3,7-8H2,(H,17,19).
What are the key properties of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide?
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide has a molecular weight of 285.29 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide is sourced from PubChem (CID 111102858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).