(1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide

C18H23F2NO — CID 95782962

IUPAC(1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
SMILESCCCN(CC(F)F)C(=O)[C@H]1C[C@]12CCCc1ccccc12
InChIInChI=1S/C18H23F2NO/c1-2-10-21(12-16(19)20)17(22)15-11-18(15)9-5-7-13-6-3-4-8-14(13)18/h3-4,6,8,15-16H,2,5,7,9-12H2,1H3/t15-,18+/m1/s1
InChIKeyWGHPGOZDBNZRRQ-QAPCUYQASA-N
MW307.38 g/mol
LogP3.78
Rot. Bonds5

About (1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide

(1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide (PubChem CID 95782962) has the molecular formula C18H23F2NO and a molecular weight of 307.38 g/mol. Its IUPAC name is (1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
PubChem CID95782962
Molecular FormulaC18H23F2NO
Molecular Weight307.38 g/mol
Exact Mass307.17
IUPAC Name(1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
SMILESCCCN(CC(F)F)C(=O)[C@H]1C[C@]12CCCc1ccccc12
InChIInChI=1S/C18H23F2NO/c1-2-10-21(12-16(19)20)17(22)15-11-18(15)9-5-7-13-6-3-4-8-14(13)18/h3-4,6,8,15-16H,2,5,7,9-12H2,1H3/t15-,18+/m1/s1
InChIKeyWGHPGOZDBNZRRQ-QAPCUYQASA-N
XLogP3.78
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-methoxyethyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]acetic acid
CID 119348210
3-[2-methylpropyl(spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid
CID 120685937
(1'R,4R)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97219151
(1'R,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxylic acid
CID 94419963
2-[methyl(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)amino]propanoic acid
CID 119359115
(1'S,4R)-N-methylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97218615
(1'R,4S)-N-methyl-N-pyridin-2-ylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide
CID 97061520
N-propyl-N-pyrrolidin-3-ylspiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 119531474
(2-hydroxyphenyl)-[(1'S,4S)-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-yl]methanone
CID 139114969
N-(2-amino-2-ethylbutyl)spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide;hydrochloride
CID 119642304
(1'R,3R)-N-(2-cyanoethyl)-N-(3,3,3-trifluoropropyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-carboxamide
CID 97017033
(3S,4S)-4-methyl-1-(spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carbonyl)pyrrolidine-3-carboxylic acid
CID 120952047

Frequently Asked Questions

What is the IUPAC name of (1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide (CID 95782962) is (1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide is CCCN(CC(F)F)C(=O)[C@H]1C[C@]12CCCc1ccccc12.
What is the InChIKey of (1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
The InChIKey is WGHPGOZDBNZRRQ-QAPCUYQASA-N. The full InChI is InChI=1S/C18H23F2NO/c1-2-10-21(12-16(19)20)17(22)15-11-18(15)9-5-7-13-6-3-4-8-14(13)18/h3-4,6,8,15-16H,2,5,7,9-12H2,1H3/t15-,18+/m1/s1.
What are the key properties of (1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide?
(1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,4R)-N-(2,2-difluoroethyl)-N-propylspiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 95782962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).