5-fluoro-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide

C19H15F2NO3 — CID 175864088

IUPAC5-fluoro-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide
SMILESO=C(N[C@H]1CCOc2cc(F)ccc21)C1C2Oc3ccc(F)cc3C21
InChIInChI=1S/C19H15F2NO3/c20-9-2-4-14-12(7-9)16-17(18(16)25-14)19(23)22-13-5-6-24-15-8-10(21)1-3-11(13)15/h1-4,7-8,13,16-18H,5-6H2,(H,22,23)/t13-,16?,17?,18?/m0/s1
InChIKeyFDDOEECIJOEWIL-ZKLFKFSVSA-N
MW343.33 g/mol
LogP3.08
Rot. Bonds2

About 5-fluoro-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide

5-fluoro-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide (PubChem CID 175864088) has the molecular formula C19H15F2NO3 and a molecular weight of 343.33 g/mol. Its IUPAC name is 5-fluoro-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide
PubChem CID175864088
Molecular FormulaC19H15F2NO3
Molecular Weight343.33 g/mol
Exact Mass343.10
IUPAC Name5-fluoro-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide
SMILESO=C(N[C@H]1CCOc2cc(F)ccc21)C1C2Oc3ccc(F)cc3C21
InChIInChI=1S/C19H15F2NO3/c20-9-2-4-14-12(7-9)16-17(18(16)25-14)19(23)22-13-5-6-24-15-8-10(21)1-3-11(13)15/h1-4,7-8,13,16-18H,5-6H2,(H,22,23)/t13-,16?,17?,18?/m0/s1
InChIKeyFDDOEECIJOEWIL-ZKLFKFSVSA-N
XLogP3.08
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.33
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-fluoro-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide with MolForge

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Related Compounds

N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)cyclohexanecarboxamide
CID 110751256
(1S,1aS,6bR)-5-fluoro-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxylic acid
CID 170903944
tert-butyl N-(7-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 144863293
N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-2,2-dimethylpropanamide
CID 110751259
3-cyclopropyl-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 155957381
(2R)-2-amino-N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119322941
N-[(4S)-6,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxamide
CID 175864099
(2S,4S)-N-(8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)-2-methylpiperidine-4-carboxamide
CID 120641361
1-benzyl-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea
CID 110750884
benzyl N-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)carbamate
CID 110751299
1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-propylurea
CID 110750885
4,4-difluoro-N-(8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 120955480

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide?
The IUPAC name of 5-fluoro-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide (CID 175864088) is 5-fluoro-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide.
What is the SMILES notation for 5-fluoro-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide?
The canonical SMILES for 5-fluoro-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide is O=C(N[C@H]1CCOc2cc(F)ccc21)C1C2Oc3ccc(F)cc3C21.
What is the InChIKey of 5-fluoro-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide?
The InChIKey is FDDOEECIJOEWIL-ZKLFKFSVSA-N. The full InChI is InChI=1S/C19H15F2NO3/c20-9-2-4-14-12(7-9)16-17(18(16)25-14)19(23)22-13-5-6-24-15-8-10(21)1-3-11(13)15/h1-4,7-8,13,16-18H,5-6H2,(H,22,23)/t13-,16?,17?,18?/m0/s1.
What are the key properties of 5-fluoro-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide?
5-fluoro-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide has a molecular weight of 343.33 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(4S)-7-fluoro-3,4-dihydro-2H-chromen-4-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-carboxamide is sourced from PubChem (CID 175864088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).