(5R)-N-(2-bromo-5-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

C14H16BrFN2O2 — CID 124577031

IUPAC(5R)-N-(2-bromo-5-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)N1CC[C@@]2(CCOC2)C1
InChIInChI=1S/C14H16BrFN2O2/c15-11-2-1-10(16)7-12(11)17-13(19)18-5-3-14(8-18)4-6-20-9-14/h1-2,7H,3-6,8-9H2,(H,17,19)/t14-/m1/s1
InChIKeyCDKMGHCASIUQJE-CQSZACIVSA-N
MW343.20 g/mol
LogP3.23
Rot. Bonds1

About (5R)-N-(2-bromo-5-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide

(5R)-N-(2-bromo-5-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (PubChem CID 124577031) has the molecular formula C14H16BrFN2O2 and a molecular weight of 343.20 g/mol. Its IUPAC name is (5R)-N-(2-bromo-5-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.

Molecular Properties

Compound Name(5R)-N-(2-bromo-5-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
PubChem CID124577031
Molecular FormulaC14H16BrFN2O2
Molecular Weight343.20 g/mol
Exact Mass342.04
IUPAC Name(5R)-N-(2-bromo-5-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
SMILESO=C(Nc1cc(F)ccc1Br)N1CC[C@@]2(CCOC2)C1
InChIInChI=1S/C14H16BrFN2O2/c15-11-2-1-10(16)7-12(11)17-13(19)18-5-3-14(8-18)4-6-20-9-14/h1-2,7H,3-6,8-9H2,(H,17,19)/t14-/m1/s1
InChIKeyCDKMGHCASIUQJE-CQSZACIVSA-N
XLogP3.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.20
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-5-fluorophenyl)morpholine-4-carboxamide
CID 103755867
(5S)-N-(2-ethylsulfonyl-4-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 164633233
(5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99786692
1-[(2-bromo-5-fluorophenyl)carbamoyl]-3-ethylpyrrolidine-3-carboxylic acid
CID 107629009
N-(3-fluoro-5-methylphenyl)-3,8-dioxa-11-azaspiro[5.6]dodecane-11-carboxamide
CID 99821838
(5R)-N-dibenzofuran-3-yl-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 97017490
[4-(3-fluorophenyl)oxan-4-yl]-[(5S)-2-oxa-7-azaspiro[4.4]nonan-7-yl]methanone
CID 97077235
N-(5-fluoro-2-methylphenyl)-3,3-dimethylpyrrolidine-1-carboxamide
CID 69203446
tert-butyl 2-[[(5R)-2-oxa-7-azaspiro[4.4]nonane-7-carbonyl]amino]benzoate
CID 124615985
(5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99633932
(5R)-N-[3-(4-methylpiperidin-1-yl)phenyl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99606652
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 126792098

Frequently Asked Questions

What is the IUPAC name of (5R)-N-(2-bromo-5-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The IUPAC name of (5R)-N-(2-bromo-5-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide (CID 124577031) is (5R)-N-(2-bromo-5-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide.
What is the SMILES notation for (5R)-N-(2-bromo-5-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The canonical SMILES for (5R)-N-(2-bromo-5-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is O=C(Nc1cc(F)ccc1Br)N1CC[C@@]2(CCOC2)C1.
What is the InChIKey of (5R)-N-(2-bromo-5-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
The InChIKey is CDKMGHCASIUQJE-CQSZACIVSA-N. The full InChI is InChI=1S/C14H16BrFN2O2/c15-11-2-1-10(16)7-12(11)17-13(19)18-5-3-14(8-18)4-6-20-9-14/h1-2,7H,3-6,8-9H2,(H,17,19)/t14-/m1/s1.
What are the key properties of (5R)-N-(2-bromo-5-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide?
(5R)-N-(2-bromo-5-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide has a molecular weight of 343.20 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-N-(2-bromo-5-fluorophenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide is sourced from PubChem (CID 124577031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).