4-(4-chlorophenyl)-5,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-8-carboxamide

C19H16ClN3O — CID 118738034

IUPAC4-(4-chlorophenyl)-5,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-8-carboxamide
SMILESNC(=O)C1Cc2ccccc2Cc2c(-c3ccc(Cl)cc3)n[nH]c21
InChIInChI=1S/C19H16ClN3O/c20-14-7-5-11(6-8-14)17-15-9-12-3-1-2-4-13(12)10-16(19(21)24)18(15)23-22-17/h1-8,16H,9-10H2,(H2,21,24)(H,22,23)
InChIKeySMBPANNSDVBECT-UHFFFAOYSA-N
MW337.81 g/mol
LogP3.45
Rot. Bonds2

About 4-(4-chlorophenyl)-5,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-8-carboxamide

4-(4-chlorophenyl)-5,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-8-carboxamide (PubChem CID 118738034) has the molecular formula C19H16ClN3O and a molecular weight of 337.81 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-8-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-8-carboxamide
PubChem CID118738034
Molecular FormulaC19H16ClN3O
Molecular Weight337.81 g/mol
Exact Mass337.10
IUPAC Name4-(4-chlorophenyl)-5,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-8-carboxamide
SMILESNC(=O)C1Cc2ccccc2Cc2c(-c3ccc(Cl)cc3)n[nH]c21
InChIInChI=1S/C19H16ClN3O/c20-14-7-5-11(6-8-14)17-15-9-12-3-1-2-4-13(12)10-16(19(21)24)18(15)23-22-17/h1-8,16H,9-10H2,(H2,21,24)(H,22,23)
InChIKeySMBPANNSDVBECT-UHFFFAOYSA-N
XLogP3.45
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.81
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738000
3-(4-Chlorophenyl)-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-8-carboxamide
CID 118738024
3-(4-Chlorophenyl)-5,5-dimethyl-1,4,6,7-tetrahydroindazole-7-carboxamide
CID 118738026
3-(3,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738004
3-(4-chloro-3-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738006
3-(4-chlorophenyl)-N-methyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738001
3-(3-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738002
3-(2-chlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738003
3-(2,4-dichlorophenyl)-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738005
3-(4-chlorophenyl)-4,5,6,7,8,9-hexahydro-1H-cycloocta[d]pyrazole-9-carboxamide
CID 118738025
3-(4-chlorophenyl)-5-phenyl-4,5,6,7-tetrahydro-1H-indazole-7-carboxamide
CID 118738031
3-(4-Chlorophenyl)-4,4-dimethyl-1,5,6,7-tetrahydroindazole-7-carboxamide
CID 118738033

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-8-carboxamide?
The IUPAC name of 4-(4-chlorophenyl)-5,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-8-carboxamide (CID 118738034) is 4-(4-chlorophenyl)-5,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-8-carboxamide.
What is the SMILES notation for 4-(4-chlorophenyl)-5,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-8-carboxamide?
The canonical SMILES for 4-(4-chlorophenyl)-5,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-8-carboxamide is NC(=O)C1Cc2ccccc2Cc2c(-c3ccc(Cl)cc3)n[nH]c21.
What is the InChIKey of 4-(4-chlorophenyl)-5,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-8-carboxamide?
The InChIKey is SMBPANNSDVBECT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O/c20-14-7-5-11(6-8-14)17-15-9-12-3-1-2-4-13(12)10-16(19(21)24)18(15)23-22-17/h1-8,16H,9-10H2,(H2,21,24)(H,22,23).
What are the key properties of 4-(4-chlorophenyl)-5,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-8-carboxamide?
4-(4-chlorophenyl)-5,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-8-carboxamide has a molecular weight of 337.81 g/mol, XLogP of 3.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5,6-diazatricyclo[8.4.0.03,7]tetradeca-1(14),3(7),4,10,12-pentaene-8-carboxamide is sourced from PubChem (CID 118738034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).