9,11-dichloro-N,N,2-trimethyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide

C14H11Cl2N3O2 — CID 56946187

IUPAC9,11-dichloro-N,N,2-trimethyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide
SMILESCN(C)C(=O)c1cc2c3c(c(Cl)cc(Cl)c3n1)N(C)C2=O
InChIInChI=1S/C14H11Cl2N3O2/c1-18(2)14(21)9-4-6-10-11(17-9)7(15)5-8(16)12(10)19(3)13(6)20/h4-5H,1-3H3
InChIKeyVTRMEINEZNWSPB-UHFFFAOYSA-N
MW324.17 g/mol
LogP2.83
Rot. Bonds1

About 9,11-dichloro-N,N,2-trimethyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide

9,11-dichloro-N,N,2-trimethyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide (PubChem CID 56946187) has the molecular formula C14H11Cl2N3O2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 9,11-dichloro-N,N,2-trimethyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide.

Molecular Properties

Compound Name9,11-dichloro-N,N,2-trimethyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide
PubChem CID56946187
Molecular FormulaC14H11Cl2N3O2
Molecular Weight324.17 g/mol
Exact Mass323.02
IUPAC Name9,11-dichloro-N,N,2-trimethyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide
SMILESCN(C)C(=O)c1cc2c3c(c(Cl)cc(Cl)c3n1)N(C)C2=O
InChIInChI=1S/C14H11Cl2N3O2/c1-18(2)14(21)9-4-6-10-11(17-9)7(15)5-8(16)12(10)19(3)13(6)20/h4-5H,1-3H3
InChIKeyVTRMEINEZNWSPB-UHFFFAOYSA-N
XLogP2.83
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 9,11-dichloro-N,N,2-trimethyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide with MolForge

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Related Compounds

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CID 54765330
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CID 56946085
N-benzyl-9,11-dichloro-2-methyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide
CID 56946186
5-Chloro-1,3-dimethylindol-2-yl 4-methylpiperazinyl ketone
CID 16646014
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4-Chloro-14-(4-chlorophenyl)-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1,3,5,7,9(16),10,12-heptaen-15-one
CID 139222012
14-Butyl-4-chloro-11,11-dimethyl-8,14-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-1(16),2(7),3,5,8,12-hexaen-15-one
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Frequently Asked Questions

What is the IUPAC name of 9,11-dichloro-N,N,2-trimethyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide?
The IUPAC name of 9,11-dichloro-N,N,2-trimethyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide (CID 56946187) is 9,11-dichloro-N,N,2-trimethyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide.
What is the SMILES notation for 9,11-dichloro-N,N,2-trimethyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide?
The canonical SMILES for 9,11-dichloro-N,N,2-trimethyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide is CN(C)C(=O)c1cc2c3c(c(Cl)cc(Cl)c3n1)N(C)C2=O.
What is the InChIKey of 9,11-dichloro-N,N,2-trimethyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide?
The InChIKey is VTRMEINEZNWSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3O2/c1-18(2)14(21)9-4-6-10-11(17-9)7(15)5-8(16)12(10)19(3)13(6)20/h4-5H,1-3H3.
What are the key properties of 9,11-dichloro-N,N,2-trimethyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide?
9,11-dichloro-N,N,2-trimethyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide has a molecular weight of 324.17 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,11-dichloro-N,N,2-trimethyl-3-oxo-2,7-diazatricyclo[6.3.1.04,12]dodeca-1(11),4,6,8(12),9-pentaene-6-carboxamide is sourced from PubChem (CID 56946187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).