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

C19H21F2NO3 — CID 111102907

IUPACN-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)NCC(O)COc1ccc(F)c(F)c1
InChIInChI=1S/C19H21F2NO3/c1-13-4-2-3-5-14(13)6-9-19(24)22-11-15(23)12-25-16-7-8-17(20)18(21)10-16/h2-5,7-8,10,15,23H,6,9,11-12H2,1H3,(H,22,24)
InChIKeyJKCGUBFEIGQWFQ-UHFFFAOYSA-N
MW349.38 g/mol
LogP2.76
Rot. Bonds8

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

N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-(2-methylphenyl)propanamide (PubChem CID 111102907) has the molecular formula C19H21F2NO3 and a molecular weight of 349.38 g/mol. Its IUPAC name is N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-(2-methylphenyl)propanamide.

Molecular Properties

Compound NameN-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-(2-methylphenyl)propanamide
PubChem CID111102907
Molecular FormulaC19H21F2NO3
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC NameN-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-(2-methylphenyl)propanamide
SMILESCc1ccccc1CCC(=O)NCC(O)COc1ccc(F)c(F)c1
InChIInChI=1S/C19H21F2NO3/c1-13-4-2-3-5-14(13)6-9-19(24)22-11-15(23)12-25-16-7-8-17(20)18(21)10-16/h2-5,7-8,10,15,23H,6,9,11-12H2,1H3,(H,22,24)
InChIKeyJKCGUBFEIGQWFQ-UHFFFAOYSA-N
XLogP2.76
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide
CID 119319079
N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-2-(2-methylphenyl)acetamide
CID 111110931
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-pyridin-3-ylpropanamide
CID 111102845
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 111102918
(2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide
CID 71849233
2-[cyclopropyl(methyl)amino]-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]acetamide
CID 111102915
(2S)-2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylbutanamide;hydrochloride
CID 119319094
2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride
CID 119775927
3-(2-methylphenyl)-N-(2-methylpropyl)propanamide
CID 63283832
N-[(2S)-3-(3-fluorophenoxy)-2-hydroxypropyl]-2-(2-fluorophenyl)acetamide
CID 94654317
3-(2-aminophenyl)-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]propanamide;hydrochloride
CID 120609837
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-(2-methylphenyl)propanamide?
The IUPAC name of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-(2-methylphenyl)propanamide (CID 111102907) is N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-(2-methylphenyl)propanamide.
What is the SMILES notation for N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-(2-methylphenyl)propanamide?
The canonical SMILES for N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-(2-methylphenyl)propanamide is Cc1ccccc1CCC(=O)NCC(O)COc1ccc(F)c(F)c1.
What is the InChIKey of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-(2-methylphenyl)propanamide?
The InChIKey is JKCGUBFEIGQWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2NO3/c1-13-4-2-3-5-14(13)6-9-19(24)22-11-15(23)12-25-16-7-8-17(20)18(21)10-16/h2-5,7-8,10,15,23H,6,9,11-12H2,1H3,(H,22,24).
What are the key properties of N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-(2-methylphenyl)propanamide?
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-(2-methylphenyl)propanamide has a molecular weight of 349.38 g/mol, XLogP of 2.76, 8 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]-3-(2-methylphenyl)propanamide is sourced from PubChem (CID 111102907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).