(2R)-N-(3-fluoro-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide

C19H24FN3O2 — CID 134804446

IUPAC(2R)-N-(3-fluoro-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide
SMILESCc1ccc(NC(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)cc1F
InChIInChI=1S/C19H24FN3O2/c1-12-5-6-15(8-16(12)20)21-19(25)22-9-13-7-14(11-22)17-3-2-4-18(24)23(17)10-13/h5-6,8,13-14,17H,2-4,7,9-11H2,1H3,(H,21,25)/t13?,14?,17-/m1/s1
InChIKeyJLLCDYHDSYROJC-MQBCKMQZSA-N
MW345.42 g/mol
LogP3.00
Rot. Bonds1

About (2R)-N-(3-fluoro-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide

(2R)-N-(3-fluoro-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide (PubChem CID 134804446) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is (2R)-N-(3-fluoro-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide.

Molecular Properties

Compound Name(2R)-N-(3-fluoro-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide
PubChem CID134804446
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name(2R)-N-(3-fluoro-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide
SMILESCc1ccc(NC(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)cc1F
InChIInChI=1S/C19H24FN3O2/c1-12-5-6-15(8-16(12)20)21-19(25)22-9-13-7-14(11-22)17-3-2-4-18(24)23(17)10-13/h5-6,8,13-14,17H,2-4,7,9-11H2,1H3,(H,21,25)/t13?,14?,17-/m1/s1
InChIKeyJLLCDYHDSYROJC-MQBCKMQZSA-N
XLogP3.00
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2R)-N-(3-fluoro-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide with MolForge

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Related Compounds

N-(3-fluoro-4-methylphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide
CID 110195247
(1R,2R,9S)-N-(2-fluorophenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide
CID 110194945
(2R)-N-(4-ethoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide
CID 134804801
(3aS,7aR)-N-(3-fluoro-4-methylphenyl)-1,3,3a,4,7,7a-hexahydroisoindole-2-carboxamide
CID 72872228
(4aR,8aS)-N-(3-fluoro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944607
(4aS,8aR)-N-(3-fluoro-4-methylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 51944608
(1R,2R,9S)-N-(2-methoxyphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide
CID 110195019
N-(3-fluoro-4-methylphenyl)-3-methylpiperidine-1-carboxamide
CID 17087793
(2S)-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide
CID 171153303
N-(4-methoxyphenyl)-4-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide
CID 134804410
N-(4-methoxyphenyl)-4-[(1R,2R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]piperidine-1-carboxamide
CID 110195212
11-(5-methylthiophene-2-carbonyl)-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 156610598

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-fluoro-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide?
The IUPAC name of (2R)-N-(3-fluoro-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide (CID 134804446) is (2R)-N-(3-fluoro-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide.
What is the SMILES notation for (2R)-N-(3-fluoro-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide?
The canonical SMILES for (2R)-N-(3-fluoro-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide is Cc1ccc(NC(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)cc1F.
What is the InChIKey of (2R)-N-(3-fluoro-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide?
The InChIKey is JLLCDYHDSYROJC-MQBCKMQZSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-12-5-6-15(8-16(12)20)21-19(25)22-9-13-7-14(11-22)17-3-2-4-18(24)23(17)10-13/h5-6,8,13-14,17H,2-4,7,9-11H2,1H3,(H,21,25)/t13?,14?,17-/m1/s1.
What are the key properties of (2R)-N-(3-fluoro-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide?
(2R)-N-(3-fluoro-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-fluoro-4-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxamide is sourced from PubChem (CID 134804446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).