6,7-dichloro-N-(4-chloro-2-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

C23H20Cl3N3O — CID 18834682

IUPAC6,7-dichloro-N-(4-chloro-2-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C12CCC(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C
InChIInChI=1S/C23H20Cl3N3O/c1-11-8-12(24)4-5-16(11)29-21(30)23-7-6-13(22(23,2)3)19-20(23)28-18-10-15(26)14(25)9-17(18)27-19/h4-5,8-10,13H,6-7H2,1-3H3,(H,29,30)
InChIKeyQULLJPKLSPMZTG-UHFFFAOYSA-N
MW460.79 g/mol
LogP6.69
Rot. Bonds2

About 6,7-dichloro-N-(4-chloro-2-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide

6,7-dichloro-N-(4-chloro-2-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (PubChem CID 18834682) has the molecular formula C23H20Cl3N3O and a molecular weight of 460.79 g/mol. Its IUPAC name is 6,7-dichloro-N-(4-chloro-2-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.

Molecular Properties

Compound Name6,7-dichloro-N-(4-chloro-2-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
PubChem CID18834682
Molecular FormulaC23H20Cl3N3O
Molecular Weight460.79 g/mol
Exact Mass459.07
IUPAC Name6,7-dichloro-N-(4-chloro-2-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C12CCC(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C
InChIInChI=1S/C23H20Cl3N3O/c1-11-8-12(24)4-5-16(11)29-21(30)23-7-6-13(22(23,2)3)19-20(23)28-18-10-15(26)14(25)9-17(18)27-19/h4-5,8-10,13H,6-7H2,1-3H3,(H,29,30)
InChIKeyQULLJPKLSPMZTG-UHFFFAOYSA-N
XLogP6.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.79
LogP ≤ 56.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,7-dichloro-N-(4-chloro-2-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide with MolForge

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Related Compounds

methyl 2-[(6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbonyl)amino]benzoate
CID 18834717
6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylic acid
CID 4913342
N-(4-bromophenyl)-6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834740
N-(2-chlorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834563
N-(3-chloro-4-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834517
N-(2,3-dichlorophenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834556
6,7-dichloro-N-cyclopentyl-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834629
6,7-dichloro-15,15-dimethyl-N-(4-phenoxyphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834649
6,7-dichloro-N'-(4-fluorobenzoyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carbohydrazide
CID 18834754
6,7-dichloro-N-(2,4-dichlorophenyl)-12,15,15-trimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 3248495
N-(2,4-dimethoxyphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide
CID 18834542
(3,5-dimethylphenyl) 6,7-dichloro-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxylate
CID 18834661

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N-(4-chloro-2-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The IUPAC name of 6,7-dichloro-N-(4-chloro-2-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide (CID 18834682) is 6,7-dichloro-N-(4-chloro-2-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide.
What is the SMILES notation for 6,7-dichloro-N-(4-chloro-2-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The canonical SMILES for 6,7-dichloro-N-(4-chloro-2-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is Cc1cc(Cl)ccc1NC(=O)C12CCC(c3nc4cc(Cl)c(Cl)cc4nc31)C2(C)C.
What is the InChIKey of 6,7-dichloro-N-(4-chloro-2-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
The InChIKey is QULLJPKLSPMZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl3N3O/c1-11-8-12(24)4-5-16(11)29-21(30)23-7-6-13(22(23,2)3)19-20(23)28-18-10-15(26)14(25)9-17(18)27-19/h4-5,8-10,13H,6-7H2,1-3H3,(H,29,30).
What are the key properties of 6,7-dichloro-N-(4-chloro-2-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide?
6,7-dichloro-N-(4-chloro-2-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide has a molecular weight of 460.79 g/mol, XLogP of 6.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-(4-chloro-2-methylphenyl)-15,15-dimethyl-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4,6,8,10-pentaene-1-carboxamide is sourced from PubChem (CID 18834682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).