11-fluoro-N-(4-fluoro-3-methylphenyl)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide

C19H21F2N5O2 — CID 145435148

IUPAC11-fluoro-N-(4-fluoro-3-methylphenyl)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
SMILESCc1cc(NC(=O)N2CCc3nn4c(c3C2)C(=O)N(C)CC(F)C4)ccc1F
InChIInChI=1S/C19H21F2N5O2/c1-11-7-13(3-4-15(11)21)22-19(28)25-6-5-16-14(10-25)17-18(27)24(2)8-12(20)9-26(17)23-16/h3-4,7,12H,5-6,8-10H2,1-2H3,(H,22,28)
InChIKeyGVIJWCPOWPTBEM-UHFFFAOYSA-N
MW389.41 g/mol
LogP2.34
Rot. Bonds1

About 11-fluoro-N-(4-fluoro-3-methylphenyl)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide

11-fluoro-N-(4-fluoro-3-methylphenyl)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide (PubChem CID 145435148) has the molecular formula C19H21F2N5O2 and a molecular weight of 389.41 g/mol. Its IUPAC name is 11-fluoro-N-(4-fluoro-3-methylphenyl)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide.

Molecular Properties

Compound Name11-fluoro-N-(4-fluoro-3-methylphenyl)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
PubChem CID145435148
Molecular FormulaC19H21F2N5O2
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC Name11-fluoro-N-(4-fluoro-3-methylphenyl)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
SMILESCc1cc(NC(=O)N2CCc3nn4c(c3C2)C(=O)N(C)CC(F)C4)ccc1F
InChIInChI=1S/C19H21F2N5O2/c1-11-7-13(3-4-15(11)21)22-19(28)25-6-5-16-14(10-25)17-18(27)24(2)8-12(20)9-26(17)23-16/h3-4,7,12H,5-6,8-10H2,1-2H3,(H,22,28)
InChIKeyGVIJWCPOWPTBEM-UHFFFAOYSA-N
XLogP2.34
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 11-fluoro-N-(4-fluoro-3-methylphenyl)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide with MolForge

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Related Compounds

(5R)-N-(3-cyano-4-fluorophenyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 141725214
CID 145434541
CID 145434541
(5R,11R)-N-(3-cyano-4-fluorophenyl)-11-(fluoromethyl)-5,13-dimethyl-14-oxo-12-oxa-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 145434653
N-(3-chloro-4-fluorophenyl)-11-(dimethylamino)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 145434867
CID 145434914
CID 145434914
(5R,11S)-N-(3-cyano-4-fluorophenyl)-11-fluoro-5,13-dimethyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 145434957
N-(3-chloro-4-fluorophenyl)-4-methyl-3-oxo-4,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,8-diene-12-carboxamide
CID 145434962
N-(3-bromo-4-fluorophenyl)-11-fluoro-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 145434969
CID 145434997
CID 145434997
N-(3-chloro-4-fluorophenyl)-14-methyl-15-oxo-4,8,9,14-tetrazatricyclo[7.6.0.02,7]pentadeca-1,7-diene-4-carboxamide
CID 145435009
N-(3-chloro-4-fluorophenyl)-11-(hydroxymethyl)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide
CID 145435023
CID 145435024
CID 145435024

Frequently Asked Questions

What is the IUPAC name of 11-fluoro-N-(4-fluoro-3-methylphenyl)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide?
The IUPAC name of 11-fluoro-N-(4-fluoro-3-methylphenyl)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide (CID 145435148) is 11-fluoro-N-(4-fluoro-3-methylphenyl)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide.
What is the SMILES notation for 11-fluoro-N-(4-fluoro-3-methylphenyl)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide?
The canonical SMILES for 11-fluoro-N-(4-fluoro-3-methylphenyl)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide is Cc1cc(NC(=O)N2CCc3nn4c(c3C2)C(=O)N(C)CC(F)C4)ccc1F.
What is the InChIKey of 11-fluoro-N-(4-fluoro-3-methylphenyl)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide?
The InChIKey is GVIJWCPOWPTBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N5O2/c1-11-7-13(3-4-15(11)21)22-19(28)25-6-5-16-14(10-25)17-18(27)24(2)8-12(20)9-26(17)23-16/h3-4,7,12H,5-6,8-10H2,1-2H3,(H,22,28).
What are the key properties of 11-fluoro-N-(4-fluoro-3-methylphenyl)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide?
11-fluoro-N-(4-fluoro-3-methylphenyl)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide has a molecular weight of 389.41 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-fluoro-N-(4-fluoro-3-methylphenyl)-13-methyl-14-oxo-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-diene-4-carboxamide is sourced from PubChem (CID 145435148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).