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

C17H17F2NO5 — CID 167969333

IUPACN-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(O)COc2ccc(F)c(F)c2)ccc1O
InChIInChI=1S/C17H17F2NO5/c1-24-16-6-10(2-5-15(16)22)17(23)20-8-11(21)9-25-12-3-4-13(18)14(19)7-12/h2-7,11,21-22H,8-9H2,1H3,(H,20,23)
InChIKeyARJNGIDBNHHEQQ-UHFFFAOYSA-N
MW353.32 g/mol
LogP1.85
Rot. Bonds7

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

N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide (PubChem CID 167969333) has the molecular formula C17H17F2NO5 and a molecular weight of 353.32 g/mol. Its IUPAC name is N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide.

Molecular Properties

Compound NameN-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide
PubChem CID167969333
Molecular FormulaC17H17F2NO5
Molecular Weight353.32 g/mol
Exact Mass353.11
IUPAC NameN-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCC(O)COc2ccc(F)c(F)c2)ccc1O
InChIInChI=1S/C17H17F2NO5/c1-24-16-6-10(2-5-15(16)22)17(23)20-8-11(21)9-25-12-3-4-13(18)14(19)7-12/h2-7,11,21-22H,8-9H2,1H3,(H,20,23)
InChIKeyARJNGIDBNHHEQQ-UHFFFAOYSA-N
XLogP1.85
TPSA88.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.32
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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
(2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide
CID 71849233
N-[(2R)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-methoxybenzamide
CID 800926
3-fluoro-N-(2-hydroxy-3-phenylpropyl)-4-methoxybenzamide
CID 86264345
(2S)-2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylbutanamide;hydrochloride
CID 119319094
4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide
CID 7324383
2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride
CID 119775927
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-3,4,5-trimethoxybenzamide
CID 7297778
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 111102918
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide
CID 7276796
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide
CID 111102858

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide?
The IUPAC name of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide (CID 167969333) is N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide.
What is the SMILES notation for N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide?
The canonical SMILES for N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide is COc1cc(C(=O)NCC(O)COc2ccc(F)c(F)c2)ccc1O.
What is the InChIKey of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide?
The InChIKey is ARJNGIDBNHHEQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2NO5/c1-24-16-6-10(2-5-15(16)22)17(23)20-8-11(21)9-25-12-3-4-13(18)14(19)7-12/h2-7,11,21-22H,8-9H2,1H3,(H,20,23).
What are the key properties of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide?
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide has a molecular weight of 353.32 g/mol, XLogP of 1.85, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide is sourced from PubChem (CID 167969333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).