(1S)-2,2-difluoro-1-hydroxy-N-propyl-3H-indene-1-carboxamide

C13H15F2NO2 — CID 134442607

IUPAC(1S)-2,2-difluoro-1-hydroxy-N-propyl-3H-indene-1-carboxamide
SMILESCCCNC(=O)[C@@]1(O)c2ccccc2CC1(F)F
InChIInChI=1S/C13H15F2NO2/c1-2-7-16-11(17)13(18)10-6-4-3-5-9(10)8-12(13,14)15/h3-6,18H,2,7-8H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyVEBRUVWJCNWBEI-ZDUSSCGKSA-N
MW255.26 g/mol
LogP1.59
Rot. Bonds3

About (1S)-2,2-difluoro-1-hydroxy-N-propyl-3H-indene-1-carboxamide

(1S)-2,2-difluoro-1-hydroxy-N-propyl-3H-indene-1-carboxamide (PubChem CID 134442607) has the molecular formula C13H15F2NO2 and a molecular weight of 255.26 g/mol. Its IUPAC name is (1S)-2,2-difluoro-1-hydroxy-N-propyl-3H-indene-1-carboxamide.

Molecular Properties

Compound Name(1S)-2,2-difluoro-1-hydroxy-N-propyl-3H-indene-1-carboxamide
PubChem CID134442607
Molecular FormulaC13H15F2NO2
Molecular Weight255.26 g/mol
Exact Mass255.11
IUPAC Name(1S)-2,2-difluoro-1-hydroxy-N-propyl-3H-indene-1-carboxamide
SMILESCCCNC(=O)[C@@]1(O)c2ccccc2CC1(F)F
InChIInChI=1S/C13H15F2NO2/c1-2-7-16-11(17)13(18)10-6-4-3-5-9(10)8-12(13,14)15/h3-6,18H,2,7-8H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyVEBRUVWJCNWBEI-ZDUSSCGKSA-N
XLogP1.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.26
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(R)-1-[4-(2-Amino-ethyl)-4-ethyl-piperidin-1-yl]-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
CID 44309231
(R)-1-[4-(2-Amino-ethyl)-piperidin-1-yl]-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
CID 9799291
2-(3,3-Difluoro-cyclopentyl)-2-hydroxy-N-[1-(4-methyl-pent-3-enyl)-piperidin-4-yl]-2-phenyl-acetamide
CID 10622033
(R)-2-((R)-3,3-Difluoro-cyclopentyl)-2-hydroxy-2-phenyl-N-piperidin-4-yl-acetamide
CID 10830843
(R)-N-[1-(4-Methyl-3-pentenyl)-4-piperidinyl]-2-[(S)-3,3-difluorocyclopentyl]-2-hydroxy-2-phenylacetamide
CID 11796409
(R)-1-[4-(2-Amino-ethyl)-4-methyl-piperidin-1-yl]-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
CID 44308733
4-(2-Aminoethylidene)-1-{(2R)-2-((1R)-3,3-difluorocyclopentyl)-2-hydroxy-2-phenylacetyl}piperidine
CID 44308832
(R)-1-(4-Aminomethyl-piperidin-1-yl)-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
CID 44309153
(R)-N-(4-Aminomethyl-cyclohexyl)-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-acetamide
CID 44308809
(R)-2-((R)-3,3-Difluoro-cyclopentyl)-2-hydroxy-1-[4-(2-methylamino-ethyl)-piperidin-1-yl]-2-phenyl-ethanone
CID 44308831
(R)-2-((R)-3,3-Difluoro-cyclopentyl)-2-hydroxy-2-phenyl-1-piperazin-1-yl-ethanone
CID 44308910
(R)-1-(3-Aminomethyl-pyrrolidin-1-yl)-2-((R)-3,3-difluoro-cyclopentyl)-2-hydroxy-2-phenyl-ethanone
CID 44308912

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-difluoro-1-hydroxy-N-propyl-3H-indene-1-carboxamide?
The IUPAC name of (1S)-2,2-difluoro-1-hydroxy-N-propyl-3H-indene-1-carboxamide (CID 134442607) is (1S)-2,2-difluoro-1-hydroxy-N-propyl-3H-indene-1-carboxamide.
What is the SMILES notation for (1S)-2,2-difluoro-1-hydroxy-N-propyl-3H-indene-1-carboxamide?
The canonical SMILES for (1S)-2,2-difluoro-1-hydroxy-N-propyl-3H-indene-1-carboxamide is CCCNC(=O)[C@@]1(O)c2ccccc2CC1(F)F.
What is the InChIKey of (1S)-2,2-difluoro-1-hydroxy-N-propyl-3H-indene-1-carboxamide?
The InChIKey is VEBRUVWJCNWBEI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15F2NO2/c1-2-7-16-11(17)13(18)10-6-4-3-5-9(10)8-12(13,14)15/h3-6,18H,2,7-8H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (1S)-2,2-difluoro-1-hydroxy-N-propyl-3H-indene-1-carboxamide?
(1S)-2,2-difluoro-1-hydroxy-N-propyl-3H-indene-1-carboxamide has a molecular weight of 255.26 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-difluoro-1-hydroxy-N-propyl-3H-indene-1-carboxamide is sourced from PubChem (CID 134442607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).