(2R)-6-chloro-N-[(1R,2S,4R,5S)-5-[4-(3,4-difluorophenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide

C26H22ClF2N3O3 — CID 155254358

IUPAC(2R)-6-chloro-N-[(1R,2S,4R,5S)-5-[4-(3,4-difluorophenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
SMILESO=C1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]2C[C@@H]3n2cnc(-c3ccc(F)c(F)c3)c2)Oc2ccc(Cl)cc21
InChIInChI=1S/C26H22ClF2N3O3/c27-16-2-4-24-17(9-16)23(33)10-25(35-24)26(34)31-20-7-15-5-14(20)8-22(15)32-11-21(30-12-32)13-1-3-18(28)19(29)6-13/h1-4,6,9,11-12,14-15,20,22,25H,5,7-8,10H2,(H,31,34)/t14-,15-,20+,22+,25-/m1/s1
InChIKeyZVWOGFDOMKNYDM-FWPMAKTASA-N
MW497.93 g/mol
LogP4.97
Rot. Bonds4

About (2R)-6-chloro-N-[(1R,2S,4R,5S)-5-[4-(3,4-difluorophenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide

(2R)-6-chloro-N-[(1R,2S,4R,5S)-5-[4-(3,4-difluorophenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide (PubChem CID 155254358) has the molecular formula C26H22ClF2N3O3 and a molecular weight of 497.93 g/mol. Its IUPAC name is (2R)-6-chloro-N-[(1R,2S,4R,5S)-5-[4-(3,4-difluorophenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-chloro-N-[(1R,2S,4R,5S)-5-[4-(3,4-difluorophenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
PubChem CID155254358
Molecular FormulaC26H22ClF2N3O3
Molecular Weight497.93 g/mol
Exact Mass497.13
IUPAC Name(2R)-6-chloro-N-[(1R,2S,4R,5S)-5-[4-(3,4-difluorophenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
SMILESO=C1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]2C[C@@H]3n2cnc(-c3ccc(F)c(F)c3)c2)Oc2ccc(Cl)cc21
InChIInChI=1S/C26H22ClF2N3O3/c27-16-2-4-24-17(9-16)23(33)10-25(35-24)26(34)31-20-7-15-5-14(20)8-22(15)32-11-21(30-12-32)13-1-3-18(28)19(29)6-13/h1-4,6,9,11-12,14-15,20,22,25H,5,7-8,10H2,(H,31,34)/t14-,15-,20+,22+,25-/m1/s1
InChIKeyZVWOGFDOMKNYDM-FWPMAKTASA-N
XLogP4.97
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.93
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-6-chloro-N-[(1R,2S,4R,5S)-5-[4-(3,4-difluorophenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide with MolForge

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Related Compounds

(2R)-6-chloro-N-[3-[4-(3,4-difluorophenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155254288
(2R)-6-chloro-4-oxo-N-[5-[[2-[3-(trifluoromethoxy)cyclobutyl]oxyacetyl]amino]-2-bicyclo[2.2.1]heptanyl]-2,3-dihydrochromene-2-carboxamide
CID 155254373
(2R)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxylic acid
CID 42220830
(2S)-6-chloro-4-oxo-N-pyridin-4-yl-2,3-dihydrochromene-2-carboxamide
CID 26415416
(2R)-6-chloro-N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155256713
(2S,4S)-6-chloro-N-[3-[4-(3,4-difluorophenyl)imidazol-1-yl]-1-bicyclo[1.1.1]pentanyl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide
CID 155254518
(2R)-6-chloro-N-[3-[[2-[(2-methoxy-1,2-dihydropyrimidin-5-yl)oxy]acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155716998
(2R)-N-(4-aminocyclohexyl)-6-chloro-4-oxo-2,3-dihydrochromene-2-carboxamide;benzyl N-(4-aminocyclohexyl)carbamate
CID 162064184
6-chloro-N-[4-(methylamino)-1-bicyclo[2.1.1]hexanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 155716953
2-(6-chloro-4-oxo-2,3-dihydrochromen-2-yl)acetic acid
CID 59766136
6-chloro-N-[(2S,3S)-3-methyl-1-(methylamino)-1-oxopentan-2-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide
CID 166304511
[(2S)-4-[(6-chloro-4-oxo-2,3-dihydrochromene-2-carbonyl)amino]-2-hydroxy-1-bicyclo[2.2.2]octanyl]carbamic acid
CID 155256863

Frequently Asked Questions

What is the IUPAC name of (2R)-6-chloro-N-[(1R,2S,4R,5S)-5-[4-(3,4-difluorophenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide?
The IUPAC name of (2R)-6-chloro-N-[(1R,2S,4R,5S)-5-[4-(3,4-difluorophenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide (CID 155254358) is (2R)-6-chloro-N-[(1R,2S,4R,5S)-5-[4-(3,4-difluorophenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide.
What is the SMILES notation for (2R)-6-chloro-N-[(1R,2S,4R,5S)-5-[4-(3,4-difluorophenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide?
The canonical SMILES for (2R)-6-chloro-N-[(1R,2S,4R,5S)-5-[4-(3,4-difluorophenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide is O=C1C[C@H](C(=O)N[C@H]2C[C@H]3C[C@@H]2C[C@@H]3n2cnc(-c3ccc(F)c(F)c3)c2)Oc2ccc(Cl)cc21.
What is the InChIKey of (2R)-6-chloro-N-[(1R,2S,4R,5S)-5-[4-(3,4-difluorophenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide?
The InChIKey is ZVWOGFDOMKNYDM-FWPMAKTASA-N. The full InChI is InChI=1S/C26H22ClF2N3O3/c27-16-2-4-24-17(9-16)23(33)10-25(35-24)26(34)31-20-7-15-5-14(20)8-22(15)32-11-21(30-12-32)13-1-3-18(28)19(29)6-13/h1-4,6,9,11-12,14-15,20,22,25H,5,7-8,10H2,(H,31,34)/t14-,15-,20+,22+,25-/m1/s1.
What are the key properties of (2R)-6-chloro-N-[(1R,2S,4R,5S)-5-[4-(3,4-difluorophenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide?
(2R)-6-chloro-N-[(1R,2S,4R,5S)-5-[4-(3,4-difluorophenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide has a molecular weight of 497.93 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-chloro-N-[(1R,2S,4R,5S)-5-[4-(3,4-difluorophenyl)imidazol-1-yl]-2-bicyclo[2.2.1]heptanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide is sourced from PubChem (CID 155254358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).