2-[(6R)-11-chloro-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

C19H16ClF3N4O2 — CID 92668129

IUPAC2-[(6R)-11-chloro-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)[C@H]2CCCN2c2ncc(Cl)cc21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16ClF3N4O2/c20-12-8-15-17(24-9-12)26-6-2-5-14(26)18(29)27(15)10-16(28)25-13-4-1-3-11(7-13)19(21,22)23/h1,3-4,7-9,14H,2,5-6,10H2,(H,25,28)/t14-/m1/s1
InChIKeySWRBDQCTTGFZAP-CQSZACIVSA-N
MW424.81 g/mol
LogP3.71
Rot. Bonds3

About 2-[(6R)-11-chloro-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[(6R)-11-chloro-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 92668129) has the molecular formula C19H16ClF3N4O2 and a molecular weight of 424.81 g/mol. Its IUPAC name is 2-[(6R)-11-chloro-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(6R)-11-chloro-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID92668129
Molecular FormulaC19H16ClF3N4O2
Molecular Weight424.81 g/mol
Exact Mass424.09
IUPAC Name2-[(6R)-11-chloro-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1C(=O)[C@H]2CCCN2c2ncc(Cl)cc21)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H16ClF3N4O2/c20-12-8-15-17(24-9-12)26-6-2-5-14(26)18(29)27(15)10-16(28)25-13-4-1-3-11(7-13)19(21,22)23/h1,3-4,7-9,14H,2,5-6,10H2,(H,25,28)/t14-/m1/s1
InChIKeySWRBDQCTTGFZAP-CQSZACIVSA-N
XLogP3.71
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.81
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(6R)-11-chloro-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide with MolForge

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Related Compounds

2-(11-chloro-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl)-N-(2,3-dimethylphenyl)acetamide
CID 20886115
2-[(6aR)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 46960144
2-(7,8-dimethyl-4-oxo-1,2,3,3a-tetrahydrocyclopenta[c][1,5]benzodiazepin-5-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 53060767
2-(11-chloro-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl)-N-[2-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 4259932
2-[3-(methylamino)piperidin-1-yl]-N-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119920212
2-(1,3-dioxobenzo[de]isoquinolin-2-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113202064
2-(4-hydroxypiperidin-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 31480654
N-(3-chlorophenyl)-2-[6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]acetamide
CID 53030036
2-[(1R,2S,6S,7R,8S,9S)-8,9-dibromo-3,5-dioxo-4-azatricyclo[5.2.1.02,6]decan-4-yl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 124713017
[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-[(3aS,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]acetate
CID 7940020
2-[(6aS)-6,11-dioxo-6a,7,8,9-tetrahydropyrrolo[2,1-c][1,4]benzodiazepin-5-yl]-N-(1-methylpyrazol-4-yl)acetamide
CID 71692034
N-(3-bromophenyl)-2-(6,12-dioxo-7,8,9,10-tetrahydro-6aH-pyrido[2,1-c][1,4]benzodiazepin-5-yl)acetamide
CID 46386875

Frequently Asked Questions

What is the IUPAC name of 2-[(6R)-11-chloro-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[(6R)-11-chloro-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 92668129) is 2-[(6R)-11-chloro-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[(6R)-11-chloro-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[(6R)-11-chloro-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is O=C(CN1C(=O)[C@H]2CCCN2c2ncc(Cl)cc21)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(6R)-11-chloro-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SWRBDQCTTGFZAP-CQSZACIVSA-N. The full InChI is InChI=1S/C19H16ClF3N4O2/c20-12-8-15-17(24-9-12)26-6-2-5-14(26)18(29)27(15)10-16(28)25-13-4-1-3-11(7-13)19(21,22)23/h1,3-4,7-9,14H,2,5-6,10H2,(H,25,28)/t14-/m1/s1.
What are the key properties of 2-[(6R)-11-chloro-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[(6R)-11-chloro-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 424.81 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6R)-11-chloro-7-oxo-2,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-8-yl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 92668129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).