N-[(4S)-6,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxamide

C20H17F2NO3 — CID 175864099

IUPACN-[(4S)-6,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxamide
SMILESO=C(N[C@H]1CCOc2cc(F)c(F)cc21)C1C2COc3ccccc3C21
InChIInChI=1S/C20H17F2NO3/c21-13-7-11-15(5-6-25-17(11)8-14(13)22)23-20(24)19-12-9-26-16-4-2-1-3-10(16)18(12)19/h1-4,7-8,12,15,18-19H,5-6,9H2,(H,23,24)/t12?,15-,18?,19?/m0/s1
InChIKeyBTMBEUDLPWUQGN-FAWYYLJESA-N
MW357.36 g/mol
LogP3.33
Rot. Bonds2

About N-[(4S)-6,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxamide

N-[(4S)-6,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxamide (PubChem CID 175864099) has the molecular formula C20H17F2NO3 and a molecular weight of 357.36 g/mol. Its IUPAC name is N-[(4S)-6,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxamide.

Molecular Properties

Compound NameN-[(4S)-6,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxamide
PubChem CID175864099
Molecular FormulaC20H17F2NO3
Molecular Weight357.36 g/mol
Exact Mass357.12
IUPAC NameN-[(4S)-6,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxamide
SMILESO=C(N[C@H]1CCOc2cc(F)c(F)cc21)C1C2COc3ccccc3C21
InChIInChI=1S/C20H17F2NO3/c21-13-7-11-15(5-6-25-17(11)8-14(13)22)23-20(24)19-12-9-26-16-4-2-1-3-10(16)18(12)19/h1-4,7-8,12,15,18-19H,5-6,9H2,(H,23,24)/t12?,15-,18?,19?/m0/s1
InChIKeyBTMBEUDLPWUQGN-FAWYYLJESA-N
XLogP3.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-2-methylcyclopropane-1-carboxamide
CID 16559700
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126
2-amino-N-(3,4-dihydro-2H-chromen-4-yl)cyclopentane-1-carboxamide
CID 64824525
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119685138
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluoro-6-hydroxybenzamide
CID 104916741
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-fluoro-4-methylbenzamide
CID 9091658
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
N-(3,4-dihydro-2H-chromen-4-yl)-3-(2-fluorophenyl)sulfanylpropanamide
CID 18096155
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
(2S)-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9091701
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide
CID 51173221
1-(3,4-dihydro-2H-chromen-4-yl)-3-[(2-fluorophenyl)methyl]urea
CID 110866066

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-6,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxamide?
The IUPAC name of N-[(4S)-6,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxamide (CID 175864099) is N-[(4S)-6,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxamide.
What is the SMILES notation for N-[(4S)-6,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxamide?
The canonical SMILES for N-[(4S)-6,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxamide is O=C(N[C@H]1CCOc2cc(F)c(F)cc21)C1C2COc3ccccc3C21.
What is the InChIKey of N-[(4S)-6,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxamide?
The InChIKey is BTMBEUDLPWUQGN-FAWYYLJESA-N. The full InChI is InChI=1S/C20H17F2NO3/c21-13-7-11-15(5-6-25-17(11)8-14(13)22)23-20(24)19-12-9-26-16-4-2-1-3-10(16)18(12)19/h1-4,7-8,12,15,18-19H,5-6,9H2,(H,23,24)/t12?,15-,18?,19?/m0/s1.
What are the key properties of N-[(4S)-6,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxamide?
N-[(4S)-6,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxamide has a molecular weight of 357.36 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-6,7-difluoro-3,4-dihydro-2H-chromen-4-yl]-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-1-carboxamide is sourced from PubChem (CID 175864099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).