(2R)-6-chloro-N-[(1S,2R,4S,5R)-5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-2H-chromene-2-carboxamide

C25H24ClF3N2O3 — CID 174169653

IUPAC(2R)-6-chloro-N-[(1S,2R,4S,5R)-5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)[C@H]1CCc2cc(Cl)ccc2O1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H24ClF3N2O3/c26-18-6-8-21-14(10-18)3-7-22(34-21)24(33)31-20-12-15-9-16(20)11-19(15)30-23(32)13-1-4-17(5-2-13)25(27,28)29/h1-2,4-6,8,10,15-16,19-20,22H,3,7,9,11-12H2,(H,30,32)(H,31,33)/t15-,16-,19+,20+,22+/m0/s1
InChIKeyFCOHBZFZIBWZJD-COZQAFJOSA-N
MW492.93 g/mol
LogP4.77
Rot. Bonds4

About (2R)-6-chloro-N-[(1S,2R,4S,5R)-5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-2H-chromene-2-carboxamide

(2R)-6-chloro-N-[(1S,2R,4S,5R)-5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-2H-chromene-2-carboxamide (PubChem CID 174169653) has the molecular formula C25H24ClF3N2O3 and a molecular weight of 492.93 g/mol. Its IUPAC name is (2R)-6-chloro-N-[(1S,2R,4S,5R)-5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-2H-chromene-2-carboxamide.

Molecular Properties

Compound Name(2R)-6-chloro-N-[(1S,2R,4S,5R)-5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-2H-chromene-2-carboxamide
PubChem CID174169653
Molecular FormulaC25H24ClF3N2O3
Molecular Weight492.93 g/mol
Exact Mass492.14
IUPAC Name(2R)-6-chloro-N-[(1S,2R,4S,5R)-5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-2H-chromene-2-carboxamide
SMILESO=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)[C@H]1CCc2cc(Cl)ccc2O1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C25H24ClF3N2O3/c26-18-6-8-21-14(10-18)3-7-22(34-21)24(33)31-20-12-15-9-16(20)11-19(15)30-23(32)13-1-4-17(5-2-13)25(27,28)29/h1-2,4-6,8,10,15-16,19-20,22H,3,7,9,11-12H2,(H,30,32)(H,31,33)/t15-,16-,19+,20+,22+/m0/s1
InChIKeyFCOHBZFZIBWZJD-COZQAFJOSA-N
XLogP4.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.93
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R)-6-chloro-N-[(1S,2R,4S,5R)-5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-2H-chromene-2-carboxamide with MolForge

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Related Compounds

4-(trifluoromethyl)-N-[5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]benzamide
CID 155257067
(2S)-6-chloro-N-[(1S,3S,4R)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-hydroxycyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 174169667
(2R)-6-chloro-N-[3-[(4-chloro-3-fluorobenzoyl)amino]but-3-enyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 174169680
(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)-5-chloro-N-cycloheptyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 8006571
6-chloro-N-[4-[2-oxo-5-[3-(trifluoromethoxy)cyclobutyl]-1,3-oxazolidin-3-yl]pent-4-en-2-yl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 155717287
N-[[3,5-difluoro-4-(methanesulfonamido)phenyl]methyl]-6-(trifluoromethyl)-3,4-dihydro-2H-chromene-2-carboxamide
CID 46235650
5-chloro-N-cyclopropyl-N-(2-hydroxyethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43577374
(2S,4R)-6-chloro-4-hydroxy-N-[4-[[5-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]cyclohexyl]-3,4-dihydro-2H-chromene-2-carboxamide
CID 155254516
6-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dihydro-2H-chromene-3-carboxamide
CID 46616259
N-(2-bromocyclohexyl)-4-(trifluoromethyl)benzamide
CID 114312028
N-[2-(dimethylamino)cyclohexyl]-4-(trifluoromethyl)benzamide
CID 23349714

Frequently Asked Questions

What is the IUPAC name of (2R)-6-chloro-N-[(1S,2R,4S,5R)-5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The IUPAC name of (2R)-6-chloro-N-[(1S,2R,4S,5R)-5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-2H-chromene-2-carboxamide (CID 174169653) is (2R)-6-chloro-N-[(1S,2R,4S,5R)-5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-2H-chromene-2-carboxamide.
What is the SMILES notation for (2R)-6-chloro-N-[(1S,2R,4S,5R)-5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The canonical SMILES for (2R)-6-chloro-N-[(1S,2R,4S,5R)-5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-2H-chromene-2-carboxamide is O=C(N[C@@H]1C[C@@H]2C[C@H]1C[C@H]2NC(=O)[C@H]1CCc2cc(Cl)ccc2O1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (2R)-6-chloro-N-[(1S,2R,4S,5R)-5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
The InChIKey is FCOHBZFZIBWZJD-COZQAFJOSA-N. The full InChI is InChI=1S/C25H24ClF3N2O3/c26-18-6-8-21-14(10-18)3-7-22(34-21)24(33)31-20-12-15-9-16(20)11-19(15)30-23(32)13-1-4-17(5-2-13)25(27,28)29/h1-2,4-6,8,10,15-16,19-20,22H,3,7,9,11-12H2,(H,30,32)(H,31,33)/t15-,16-,19+,20+,22+/m0/s1.
What are the key properties of (2R)-6-chloro-N-[(1S,2R,4S,5R)-5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-2H-chromene-2-carboxamide?
(2R)-6-chloro-N-[(1S,2R,4S,5R)-5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-2H-chromene-2-carboxamide has a molecular weight of 492.93 g/mol, XLogP of 4.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-chloro-N-[(1S,2R,4S,5R)-5-[[4-(trifluoromethyl)benzoyl]amino]-2-bicyclo[2.2.1]heptanyl]-3,4-dihydro-2H-chromene-2-carboxamide is sourced from PubChem (CID 174169653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).