1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide

C13H16F2N2O3 — CID 119775896

IUPAC1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCC(O)COc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C13H16F2N2O3/c14-10-2-1-9(5-11(10)15)20-7-8(18)6-17-12(19)13(16)3-4-13/h1-2,5,8,18H,3-4,6-7,16H2,(H,17,19)
InChIKeyPKWUIPYZBYYGDZ-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.31
Rot. Bonds6

About 1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide

1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide (PubChem CID 119775896) has the molecular formula C13H16F2N2O3 and a molecular weight of 286.28 g/mol. Its IUPAC name is 1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide
PubChem CID119775896
Molecular FormulaC13H16F2N2O3
Molecular Weight286.28 g/mol
Exact Mass286.11
IUPAC Name1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide
SMILESNC1(C(=O)NCC(O)COc2ccc(F)c(F)c2)CC1
InChIInChI=1S/C13H16F2N2O3/c14-10-2-1-9(5-11(10)15)20-7-8(18)6-17-12(19)13(16)3-4-13/h1-2,5,8,18H,3-4,6-7,16H2,(H,17,19)
InChIKeyPKWUIPYZBYYGDZ-UHFFFAOYSA-N
XLogP0.31
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]propanamide
CID 119319079
1-amino-N-[2-hydroxy-3-(4-iodophenoxy)propyl]cyclopropane-1-carboxamide;hydrochloride
CID 119768613
1-amino-N-[2-hydroxy-3-[3-(trifluoromethyl)phenoxy]propyl]cyclopropane-1-carboxamide
CID 119751647
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclobutanecarboxamide
CID 111102858
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclohexanecarboxamide
CID 111102881
(2S)-2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylbutanamide;hydrochloride
CID 119319094
1-(dicyclopropylmethyl)-3-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]urea
CID 111103979
2-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-3-methylpentanamide;hydrochloride
CID 119775927
(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
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide
CID 167969333
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 111102918

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide (CID 119775896) is 1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide is NC1(C(=O)NCC(O)COc2ccc(F)c(F)c2)CC1.
What is the InChIKey of 1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide?
The InChIKey is PKWUIPYZBYYGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2N2O3/c14-10-2-1-9(5-11(10)15)20-7-8(18)6-17-12(19)13(16)3-4-13/h1-2,5,8,18H,3-4,6-7,16H2,(H,17,19).
What are the key properties of 1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide?
1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide has a molecular weight of 286.28 g/mol, XLogP of 0.31, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 119775896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).