(7R)-14-(4-fluorophenyl)-N,2-dimethyl-13-oxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),11,14,16-tetraene-15-carboxamide

C23H24FN3O2 — CID 121481142

IUPAC(7R)-14-(4-fluorophenyl)-N,2-dimethyl-13-oxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),11,14,16-tetraene-15-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc3c(cc12)C(C)N1CCC[C@@H]1CN3
InChIInChI=1S/C23H24FN3O2/c1-13-17-10-18-20(11-19(17)26-12-16-4-3-9-27(13)16)29-22(21(18)23(28)25-2)14-5-7-15(24)8-6-14/h5-8,10-11,13,16,26H,3-4,9,12H2,1-2H3,(H,25,28)/t13?,16-/m1/s1
InChIKeyJTTYZSNWPDWIJT-FQNRMIAFSA-N
MW393.46 g/mol
LogP4.55
Rot. Bonds2

About (7R)-14-(4-fluorophenyl)-N,2-dimethyl-13-oxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),11,14,16-tetraene-15-carboxamide

(7R)-14-(4-fluorophenyl)-N,2-dimethyl-13-oxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),11,14,16-tetraene-15-carboxamide (PubChem CID 121481142) has the molecular formula C23H24FN3O2 and a molecular weight of 393.46 g/mol. Its IUPAC name is (7R)-14-(4-fluorophenyl)-N,2-dimethyl-13-oxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),11,14,16-tetraene-15-carboxamide.

Molecular Properties

Compound Name(7R)-14-(4-fluorophenyl)-N,2-dimethyl-13-oxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),11,14,16-tetraene-15-carboxamide
PubChem CID121481142
Molecular FormulaC23H24FN3O2
Molecular Weight393.46 g/mol
Exact Mass393.19
IUPAC Name(7R)-14-(4-fluorophenyl)-N,2-dimethyl-13-oxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),11,14,16-tetraene-15-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc3c(cc12)C(C)N1CCC[C@@H]1CN3
InChIInChI=1S/C23H24FN3O2/c1-13-17-10-18-20(11-19(17)26-12-16-4-3-9-27(13)16)29-22(21(18)23(28)25-2)14-5-7-15(24)8-6-14/h5-8,10-11,13,16,26H,3-4,9,12H2,1-2H3,(H,25,28)/t13?,16-/m1/s1
InChIKeyJTTYZSNWPDWIJT-FQNRMIAFSA-N
XLogP4.55
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (7R)-14-(4-fluorophenyl)-N,2-dimethyl-13-oxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),11,14,16-tetraene-15-carboxamide with MolForge

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Related Compounds

2-[8-(4-fluorophenyl)-5-methyl-7-(methylcarbamoyl)-1,2,3,5-tetrahydrofuro[3,2-h][1,4]benzodiazepin-4-yl]acetic acid
CID 121481093
2-[4-(4-fluorophenoxy)phenyl]-N,5-dimethyl-9-methylsulfonyl-5,6,7,8-tetrahydrofuro[3,2-h][1]benzazepine-3-carboxamide
CID 57330361
8-(4-fluorophenyl)-N,4,5-trimethyl-1-methylsulfonyl-3,5-dihydro-2H-furo[3,2-h][1,4]benzodiazepine-7-carboxamide
CID 57330482
1-[4-cyclopropyl-8-(4-fluorophenyl)-5-methyl-1-methylsulfonyl-3,5-dihydro-2H-furo[3,2-h][1,4]benzodiazepin-7-yl]-N-methylethenamine
CID 121481087
2-(4-fluorophenyl)-5-methoxy-N-methyl-6-pyrrolidin-1-yl-1-benzofuran-3-carboxamide
CID 10474183
(5S)-8-(4-fluorophenyl)-N,5-dimethyl-1-methylsulfonyl-3,5-dihydro-2H-furo[3,2-h][4,1]benzoxazepine-7-carboxamide
CID 57330658
2-(4-fluorophenyl)-N,5-dimethyl-7,8-dihydrofuro[3,2-g]quinoline-3-carboxamide
CID 121481081
6-(dimethylamino)-5-[(3S)-1-(5-fluoro-1,3-benzoxazol-2-yl)piperidin-3-yl]-2-(4-fluorophenyl)-N-methyl-1-benzofuran-3-carboxamide
CID 144763882
8-(4-fluorophenyl)-7-N,5-dimethyl-1-methylsulfonyl-3,5-dihydro-2H-furo[3,2-h][4,1]benzoxazepine-3,7-dicarboxamide
CID 121481130
8-(4-fluorophenyl)-N,5-dimethyl-1-methylsulfonyl-4-prop-2-enyl-3,5-dihydro-2H-furo[3,2-h][1,4]benzodiazepine-7-carboxamide
CID 57330363
2-(4-fluorophenyl)-5-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
CID 121356422
5-(4-cyclodecylcycloundecyl)-2-(4-fluorophenyl)-N-methyl-6-(2-oxopyrrolidin-1-yl)-1-benzofuran-3-carboxamide
CID 126487394

Frequently Asked Questions

What is the IUPAC name of (7R)-14-(4-fluorophenyl)-N,2-dimethyl-13-oxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),11,14,16-tetraene-15-carboxamide?
The IUPAC name of (7R)-14-(4-fluorophenyl)-N,2-dimethyl-13-oxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),11,14,16-tetraene-15-carboxamide (CID 121481142) is (7R)-14-(4-fluorophenyl)-N,2-dimethyl-13-oxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),11,14,16-tetraene-15-carboxamide.
What is the SMILES notation for (7R)-14-(4-fluorophenyl)-N,2-dimethyl-13-oxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),11,14,16-tetraene-15-carboxamide?
The canonical SMILES for (7R)-14-(4-fluorophenyl)-N,2-dimethyl-13-oxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),11,14,16-tetraene-15-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc3c(cc12)C(C)N1CCC[C@@H]1CN3.
What is the InChIKey of (7R)-14-(4-fluorophenyl)-N,2-dimethyl-13-oxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),11,14,16-tetraene-15-carboxamide?
The InChIKey is JTTYZSNWPDWIJT-FQNRMIAFSA-N. The full InChI is InChI=1S/C23H24FN3O2/c1-13-17-10-18-20(11-19(17)26-12-16-4-3-9-27(13)16)29-22(21(18)23(28)25-2)14-5-7-15(24)8-6-14/h5-8,10-11,13,16,26H,3-4,9,12H2,1-2H3,(H,25,28)/t13?,16-/m1/s1.
What are the key properties of (7R)-14-(4-fluorophenyl)-N,2-dimethyl-13-oxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),11,14,16-tetraene-15-carboxamide?
(7R)-14-(4-fluorophenyl)-N,2-dimethyl-13-oxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),11,14,16-tetraene-15-carboxamide has a molecular weight of 393.46 g/mol, XLogP of 4.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-14-(4-fluorophenyl)-N,2-dimethyl-13-oxa-3,9-diazatetracyclo[8.7.0.03,7.012,16]heptadeca-1(10),11,14,16-tetraene-15-carboxamide is sourced from PubChem (CID 121481142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).