2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride

C15H23ClF2N2O3 — CID 119775927

IUPAC2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC(O)COc1ccc(F)c(F)c1.Cl
InChIInChI=1S/C15H22F2N2O3.ClH/c1-3-9(2)14(18)15(21)19-7-10(20)8-22-11-4-5-12(16)13(17)6-11;/h4-6,9-10,14,20H,3,7-8,18H2,1-2H3,(H,19,21);1H
InChIKeyPDTSOIXSOPVBKR-UHFFFAOYSA-N
MW352.81 g/mol
LogP1.62
Rot. Bonds8

About 2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride

2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride (PubChem CID 119775927) has the molecular formula C15H23ClF2N2O3 and a molecular weight of 352.81 g/mol. Its IUPAC name is 2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride
PubChem CID119775927
Molecular FormulaC15H23ClF2N2O3
Molecular Weight352.81 g/mol
Exact Mass352.14
IUPAC Name2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCC(O)COc1ccc(F)c(F)c1.Cl
InChIInChI=1S/C15H22F2N2O3.ClH/c1-3-9(2)14(18)15(21)19-7-10(20)8-22-11-4-5-12(16)13(17)6-11;/h4-6,9-10,14,20H,3,7-8,18H2,1-2H3,(H,19,21);1H
InChIKeyPDTSOIXSOPVBKR-UHFFFAOYSA-N
XLogP1.62
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.81
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylbutanamide;hydrochloride
CID 119319094
2-amino-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide
CID 119751723
(2S)-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(dimethylamino)propanamide
CID 71849233
3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide
CID 119319079
1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide
CID 119775896
(2S)-2-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]-3-methylbutanamide;hydrochloride
CID 119304985
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide
CID 111102858
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-(2-methylphenyl)propanamide
CID 111102907
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclohexanecarboxamide
CID 111102881
2-[cyclopropyl(methyl)amino]-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]acetamide
CID 111102915
2-amino-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-3-methylpentanamide;hydrochloride
CID 119719440
1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea
CID 111103979

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride (CID 119775927) is 2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NCC(O)COc1ccc(F)c(F)c1.Cl.
What is the InChIKey of 2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride?
The InChIKey is PDTSOIXSOPVBKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O3.ClH/c1-3-9(2)14(18)15(21)19-7-10(20)8-22-11-4-5-12(16)13(17)6-11;/h4-6,9-10,14,20H,3,7-8,18H2,1-2H3,(H,19,21);1H.
What are the key properties of 2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride has a molecular weight of 352.81 g/mol, XLogP of 1.62, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119775927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).