2-chloro-6-fluoro-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide

C19H16ClFN2O2 — CID 7526639

IUPAC2-chloro-6-fluoro-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide
SMILESC[C@@H]1C(=O)N2CCCc3cc(NC(=O)c4c(F)cccc4Cl)cc1c32
InChIInChI=1S/C19H16ClFN2O2/c1-10-13-9-12(8-11-4-3-7-23(17(11)13)19(10)25)22-18(24)16-14(20)5-2-6-15(16)21/h2,5-6,8-10H,3-4,7H2,1H3,(H,22,24)/t10-/m0/s1
InChIKeyRHEWRSVZMORIHX-JTQLQIEISA-N
MW358.80 g/mol
LogP4.13
Rot. Bonds2

About 2-chloro-6-fluoro-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide

2-chloro-6-fluoro-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide (PubChem CID 7526639) has the molecular formula C19H16ClFN2O2 and a molecular weight of 358.80 g/mol. Its IUPAC name is 2-chloro-6-fluoro-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide.

Molecular Properties

Compound Name2-chloro-6-fluoro-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide
PubChem CID7526639
Molecular FormulaC19H16ClFN2O2
Molecular Weight358.80 g/mol
Exact Mass358.09
IUPAC Name2-chloro-6-fluoro-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide
SMILESC[C@@H]1C(=O)N2CCCc3cc(NC(=O)c4c(F)cccc4Cl)cc1c32
InChIInChI=1S/C19H16ClFN2O2/c1-10-13-9-12(8-11-4-3-7-23(17(11)13)19(10)25)22-18(24)16-14(20)5-2-6-15(16)21/h2,5-6,8-10H,3-4,7H2,1H3,(H,22,24)/t10-/m0/s1
InChIKeyRHEWRSVZMORIHX-JTQLQIEISA-N
XLogP4.13
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-chloro-6-fluoro-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide with MolForge

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Related Compounds

2-fluoro-N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)benzamide
CID 18577995
2-fluoro-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide
CID 7526566
3-methyl-N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide
CID 7526625
N-[(3R)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]-3-(trifluoromethyl)benzamide
CID 7526568
methyl 2-[[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]carbamoyl]benzoate
CID 7526641
N-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)butanamide
CID 18577989
3,3-dimethyl-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]butanamide
CID 7526537
N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]-1,3-benzodioxole-5-carboxamide
CID 7526617
(3S)-N-(2,3-dichlorophenyl)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-triene-6-sulfonamide
CID 7526859
4-fluoro-3-methyl-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzenesulfonamide
CID 7526695
2-chloro-6-fluoro-N-(3-methyl-2-oxo-1,3-dihydroindol-5-yl)benzamide
CID 110405916
N-[(2-methoxyphenyl)methyl]-N'-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
CID 16823241

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-fluoro-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide?
The IUPAC name of 2-chloro-6-fluoro-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide (CID 7526639) is 2-chloro-6-fluoro-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide.
What is the SMILES notation for 2-chloro-6-fluoro-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide?
The canonical SMILES for 2-chloro-6-fluoro-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide is C[C@@H]1C(=O)N2CCCc3cc(NC(=O)c4c(F)cccc4Cl)cc1c32.
What is the InChIKey of 2-chloro-6-fluoro-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide?
The InChIKey is RHEWRSVZMORIHX-JTQLQIEISA-N. The full InChI is InChI=1S/C19H16ClFN2O2/c1-10-13-9-12(8-11-4-3-7-23(17(11)13)19(10)25)22-18(24)16-14(20)5-2-6-15(16)21/h2,5-6,8-10H,3-4,7H2,1H3,(H,22,24)/t10-/m0/s1.
What are the key properties of 2-chloro-6-fluoro-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide?
2-chloro-6-fluoro-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide has a molecular weight of 358.80 g/mol, XLogP of 4.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-fluoro-N-[(3S)-3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl]benzamide is sourced from PubChem (CID 7526639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).