N-(2,5-dichlorophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide

C20H15Cl2N3O — CID 18847694

IUPACN-(2,5-dichlorophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc2nc3c(nc2c1)C1CCC3C1
InChIInChI=1S/C20H15Cl2N3O/c21-13-4-5-14(22)16(9-13)25-20(26)12-3-6-15-17(8-12)24-19-11-2-1-10(7-11)18(19)23-15/h3-6,8-11H,1-2,7H2,(H,25,26)
InChIKeyBBZIFSDIAJWZMV-UHFFFAOYSA-N
MW384.27 g/mol
LogP5.55
Rot. Bonds2

About N-(2,5-dichlorophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide

N-(2,5-dichlorophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide (PubChem CID 18847694) has the molecular formula C20H15Cl2N3O and a molecular weight of 384.27 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
PubChem CID18847694
Molecular FormulaC20H15Cl2N3O
Molecular Weight384.27 g/mol
Exact Mass383.06
IUPAC NameN-(2,5-dichlorophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1ccc2nc3c(nc2c1)C1CCC3C1
InChIInChI=1S/C20H15Cl2N3O/c21-13-4-5-14(22)16(9-13)25-20(26)12-3-6-15-17(8-12)24-19-11-2-1-10(7-11)18(19)23-15/h3-6,8-11H,1-2,7H2,(H,25,26)
InChIKeyBBZIFSDIAJWZMV-UHFFFAOYSA-N
XLogP5.55
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.27
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,5-dichlorophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide with MolForge

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Related Compounds

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CID 175991469
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4-chloro-2-[(3,4-dichlorobenzoyl)amino]benzoic acid
CID 10382905
3-bromo-N-(2,5-dichlorophenyl)benzamide
CID 765435
6-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyridine-3-carboxamide
CID 109152458
2-N,6-N-bis(2,5-dichlorophenyl)pyridine-2,6-dicarboxamide
CID 4104861
N-(2,5-dichlorophenyl)-4-(piperidine-1-carbonyl)benzamide
CID 109044703
4-(cyclopropylamino)-N-(2,5-dichlorophenyl)-3-nitrobenzamide
CID 55335047
2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide
CID 109250627
N-(2,5-dichlorophenyl)-1H-pyrazole-4-carboxamide
CID 43582385
N-(2,5-dichlorophenyl)-3-(dimethylamino)benzamide
CID 690506

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide (CID 18847694) is N-(2,5-dichlorophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1ccc2nc3c(nc2c1)C1CCC3C1.
What is the InChIKey of N-(2,5-dichlorophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
The InChIKey is BBZIFSDIAJWZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O/c21-13-4-5-14(22)16(9-13)25-20(26)12-3-6-15-17(8-12)24-19-11-2-1-10(7-11)18(19)23-15/h3-6,8-11H,1-2,7H2,(H,25,26).
What are the key properties of N-(2,5-dichlorophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
N-(2,5-dichlorophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide has a molecular weight of 384.27 g/mol, XLogP of 5.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide is sourced from PubChem (CID 18847694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).