(1'R,4S)-N-[4-(difluoromethoxy)-2-fluorophenyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide

C19H16F3NO3 — CID 126797479

IUPAC(1'R,4S)-N-[4-(difluoromethoxy)-2-fluorophenyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1F)[C@@H]1C[C@]12CCOc1ccccc12
InChIInChI=1S/C19H16F3NO3/c20-14-9-11(26-18(21)22)5-6-15(14)23-17(24)13-10-19(13)7-8-25-16-4-2-1-3-12(16)19/h1-6,9,13,18H,7-8,10H2,(H,23,24)/t13-,19-/m0/s1
InChIKeyWVLNOXMJIYKUDR-DJJJIMSYSA-N
MW363.34 g/mol
LogP4.11
Rot. Bonds4

About (1'R,4S)-N-[4-(difluoromethoxy)-2-fluorophenyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide

(1'R,4S)-N-[4-(difluoromethoxy)-2-fluorophenyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (PubChem CID 126797479) has the molecular formula C19H16F3NO3 and a molecular weight of 363.34 g/mol. Its IUPAC name is (1'R,4S)-N-[4-(difluoromethoxy)-2-fluorophenyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.

Molecular Properties

Compound Name(1'R,4S)-N-[4-(difluoromethoxy)-2-fluorophenyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
PubChem CID126797479
Molecular FormulaC19H16F3NO3
Molecular Weight363.34 g/mol
Exact Mass363.11
IUPAC Name(1'R,4S)-N-[4-(difluoromethoxy)-2-fluorophenyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide
SMILESO=C(Nc1ccc(OC(F)F)cc1F)[C@@H]1C[C@]12CCOc1ccccc12
InChIInChI=1S/C19H16F3NO3/c20-14-9-11(26-18(21)22)5-6-15(14)23-17(24)13-10-19(13)7-8-25-16-4-2-1-3-12(16)19/h1-6,9,13,18H,7-8,10H2,(H,23,24)/t13-,19-/m0/s1
InChIKeyWVLNOXMJIYKUDR-DJJJIMSYSA-N
XLogP4.11
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1'R,4S)-N-[4-(difluoromethoxy)-2-fluorophenyl]spiro[2,3-dihydrochromene-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

Frequently Asked Questions

What is the IUPAC name of (1'R,4S)-N-[4-(difluoromethoxy)-2-fluorophenyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The IUPAC name of (1'R,4S)-N-[4-(difluoromethoxy)-2-fluorophenyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide (CID 126797479) is (1'R,4S)-N-[4-(difluoromethoxy)-2-fluorophenyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide.
What is the SMILES notation for (1'R,4S)-N-[4-(difluoromethoxy)-2-fluorophenyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The canonical SMILES for (1'R,4S)-N-[4-(difluoromethoxy)-2-fluorophenyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is O=C(Nc1ccc(OC(F)F)cc1F)[C@@H]1C[C@]12CCOc1ccccc12.
What is the InChIKey of (1'R,4S)-N-[4-(difluoromethoxy)-2-fluorophenyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
The InChIKey is WVLNOXMJIYKUDR-DJJJIMSYSA-N. The full InChI is InChI=1S/C19H16F3NO3/c20-14-9-11(26-18(21)22)5-6-15(14)23-17(24)13-10-19(13)7-8-25-16-4-2-1-3-12(16)19/h1-6,9,13,18H,7-8,10H2,(H,23,24)/t13-,19-/m0/s1.
What are the key properties of (1'R,4S)-N-[4-(difluoromethoxy)-2-fluorophenyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide?
(1'R,4S)-N-[4-(difluoromethoxy)-2-fluorophenyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide has a molecular weight of 363.34 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,4S)-N-[4-(difluoromethoxy)-2-fluorophenyl]spiro[2,3-dihydrochromene-4,2'-cyclopropane]-1'-carboxamide is sourced from PubChem (CID 126797479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).