(1R)-7-bromo-1-(1,1-difluoro-2-hydroxyethyl)-3,4-dihydro-2H-naphthalene-1-carboxamide

C13H14BrF2NO2 — CID 71059617

IUPAC(1R)-7-bromo-1-(1,1-difluoro-2-hydroxyethyl)-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESNC(=O)[C@@]1(C(F)(F)CO)CCCc2ccc(Br)cc21
InChIInChI=1S/C13H14BrF2NO2/c14-9-4-3-8-2-1-5-12(11(17)19,10(8)6-9)13(15,16)7-18/h3-4,6,18H,1-2,5,7H2,(H2,17,19)/t12-/m1/s1
InChIKeyYFMXCKUEOHAQDX-GFCCVEGCSA-N
MW334.16 g/mol
LogP2.14
Rot. Bonds3

About (1R)-7-bromo-1-(1,1-difluoro-2-hydroxyethyl)-3,4-dihydro-2H-naphthalene-1-carboxamide

(1R)-7-bromo-1-(1,1-difluoro-2-hydroxyethyl)-3,4-dihydro-2H-naphthalene-1-carboxamide (PubChem CID 71059617) has the molecular formula C13H14BrF2NO2 and a molecular weight of 334.16 g/mol. Its IUPAC name is (1R)-7-bromo-1-(1,1-difluoro-2-hydroxyethyl)-3,4-dihydro-2H-naphthalene-1-carboxamide.

Molecular Properties

Compound Name(1R)-7-bromo-1-(1,1-difluoro-2-hydroxyethyl)-3,4-dihydro-2H-naphthalene-1-carboxamide
PubChem CID71059617
Molecular FormulaC13H14BrF2NO2
Molecular Weight334.16 g/mol
Exact Mass333.02
IUPAC Name(1R)-7-bromo-1-(1,1-difluoro-2-hydroxyethyl)-3,4-dihydro-2H-naphthalene-1-carboxamide
SMILESNC(=O)[C@@]1(C(F)(F)CO)CCCc2ccc(Br)cc21
InChIInChI=1S/C13H14BrF2NO2/c14-9-4-3-8-2-1-5-12(11(17)19,10(8)6-9)13(15,16)7-18/h3-4,6,18H,1-2,5,7H2,(H2,17,19)/t12-/m1/s1
InChIKeyYFMXCKUEOHAQDX-GFCCVEGCSA-N
XLogP2.14
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-7-bromo-1-(1,1-difluoro-2-hydroxyethyl)-3,4-dihydro-2H-naphthalene-1-carboxamide?
The IUPAC name of (1R)-7-bromo-1-(1,1-difluoro-2-hydroxyethyl)-3,4-dihydro-2H-naphthalene-1-carboxamide (CID 71059617) is (1R)-7-bromo-1-(1,1-difluoro-2-hydroxyethyl)-3,4-dihydro-2H-naphthalene-1-carboxamide.
What is the SMILES notation for (1R)-7-bromo-1-(1,1-difluoro-2-hydroxyethyl)-3,4-dihydro-2H-naphthalene-1-carboxamide?
The canonical SMILES for (1R)-7-bromo-1-(1,1-difluoro-2-hydroxyethyl)-3,4-dihydro-2H-naphthalene-1-carboxamide is NC(=O)[C@@]1(C(F)(F)CO)CCCc2ccc(Br)cc21.
What is the InChIKey of (1R)-7-bromo-1-(1,1-difluoro-2-hydroxyethyl)-3,4-dihydro-2H-naphthalene-1-carboxamide?
The InChIKey is YFMXCKUEOHAQDX-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H14BrF2NO2/c14-9-4-3-8-2-1-5-12(11(17)19,10(8)6-9)13(15,16)7-18/h3-4,6,18H,1-2,5,7H2,(H2,17,19)/t12-/m1/s1.
What are the key properties of (1R)-7-bromo-1-(1,1-difluoro-2-hydroxyethyl)-3,4-dihydro-2H-naphthalene-1-carboxamide?
(1R)-7-bromo-1-(1,1-difluoro-2-hydroxyethyl)-3,4-dihydro-2H-naphthalene-1-carboxamide has a molecular weight of 334.16 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-7-bromo-1-(1,1-difluoro-2-hydroxyethyl)-3,4-dihydro-2H-naphthalene-1-carboxamide is sourced from PubChem (CID 71059617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).