(2R)-2-bromo-N-[(1S)-1-phenylethyl]spiro[2.5]octane-2-carboxamide

C17H22BrNO — CID 10472173

IUPAC(2R)-2-bromo-N-[(1S)-1-phenylethyl]spiro[2.5]octane-2-carboxamide
SMILESC[C@H](NC(=O)[C@@]1(Br)CC12CCCCC2)c1ccccc1
InChIInChI=1S/C17H22BrNO/c1-13(14-8-4-2-5-9-14)19-15(20)17(18)12-16(17)10-6-3-7-11-16/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H,19,20)/t13-,17-/m0/s1
InChIKeyNHBFQPGKEMWZEL-GUYCJALGSA-N
MW336.27 g/mol
LogP4.35
Rot. Bonds3

About (2R)-2-bromo-N-[(1S)-1-phenylethyl]spiro[2.5]octane-2-carboxamide

(2R)-2-bromo-N-[(1S)-1-phenylethyl]spiro[2.5]octane-2-carboxamide (PubChem CID 10472173) has the molecular formula C17H22BrNO and a molecular weight of 336.27 g/mol. Its IUPAC name is (2R)-2-bromo-N-[(1S)-1-phenylethyl]spiro[2.5]octane-2-carboxamide.

Molecular Properties

Compound Name(2R)-2-bromo-N-[(1S)-1-phenylethyl]spiro[2.5]octane-2-carboxamide
PubChem CID10472173
Molecular FormulaC17H22BrNO
Molecular Weight336.27 g/mol
Exact Mass335.09
IUPAC Name(2R)-2-bromo-N-[(1S)-1-phenylethyl]spiro[2.5]octane-2-carboxamide
SMILESC[C@H](NC(=O)[C@@]1(Br)CC12CCCCC2)c1ccccc1
InChIInChI=1S/C17H22BrNO/c1-13(14-8-4-2-5-9-14)19-15(20)17(18)12-16(17)10-6-3-7-11-16/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H,19,20)/t13-,17-/m0/s1
InChIKeyNHBFQPGKEMWZEL-GUYCJALGSA-N
XLogP4.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(1R)-2,2-dibromo-1-methyl-N-[(1S)-1-phenylethyl]cyclopropane-1-carboxamide
CID 7329878
2,2-dibromo-1-methyl-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 3109732
1-amino-N-[(1S)-1-phenylethyl]cyclobutane-1-carboxamide
CID 81169221
1-(aminomethyl)-N-(1-phenylethyl)cyclopentane-1-carboxamide
CID 55037856
1-amino-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 65465678
1-N'-[(1S)-1-phenylethyl]cyclopropane-1,1-dicarboxamide
CID 68623726
1-(aminomethyl)-N-(1-phenylethyl)cyclobutane-1-carboxamide
CID 80586699
1-(azepane-1-carbonyl)-N-(1-phenylethyl)cyclopropane-1-carboxamide
CID 108975396
1-cyano-N-[(1R)-1-phenylethyl]cyclopropane-1-carboxamide
CID 99703015
3-methyl-N-[(1S)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 78952958
2-[1-(methylamino)cyclohexyl]-N-[(1S)-1-phenylethyl]acetamide
CID 65242049
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427

Frequently Asked Questions

What is the IUPAC name of (2R)-2-bromo-N-[(1S)-1-phenylethyl]spiro[2.5]octane-2-carboxamide?
The IUPAC name of (2R)-2-bromo-N-[(1S)-1-phenylethyl]spiro[2.5]octane-2-carboxamide (CID 10472173) is (2R)-2-bromo-N-[(1S)-1-phenylethyl]spiro[2.5]octane-2-carboxamide.
What is the SMILES notation for (2R)-2-bromo-N-[(1S)-1-phenylethyl]spiro[2.5]octane-2-carboxamide?
The canonical SMILES for (2R)-2-bromo-N-[(1S)-1-phenylethyl]spiro[2.5]octane-2-carboxamide is C[C@H](NC(=O)[C@@]1(Br)CC12CCCCC2)c1ccccc1.
What is the InChIKey of (2R)-2-bromo-N-[(1S)-1-phenylethyl]spiro[2.5]octane-2-carboxamide?
The InChIKey is NHBFQPGKEMWZEL-GUYCJALGSA-N. The full InChI is InChI=1S/C17H22BrNO/c1-13(14-8-4-2-5-9-14)19-15(20)17(18)12-16(17)10-6-3-7-11-16/h2,4-5,8-9,13H,3,6-7,10-12H2,1H3,(H,19,20)/t13-,17-/m0/s1.
What are the key properties of (2R)-2-bromo-N-[(1S)-1-phenylethyl]spiro[2.5]octane-2-carboxamide?
(2R)-2-bromo-N-[(1S)-1-phenylethyl]spiro[2.5]octane-2-carboxamide has a molecular weight of 336.27 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-bromo-N-[(1S)-1-phenylethyl]spiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 10472173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).