3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide

C26H25Cl2N3O — CID 90858256

IUPAC3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1nn(-c2ccc(Cl)cc2)c2c1C1CC3CC(C1)CC2C3
InChIInChI=1S/C26H25Cl2N3O/c27-20-5-7-21(8-6-20)31-25-19-12-15-9-16(13-19)11-18(10-15)23(25)24(30-31)26(32)29-14-17-3-1-2-4-22(17)28/h1-8,15-16,18-19H,9-14H2,(H,29,32)
InChIKeyJARIQABUZCGUKY-UHFFFAOYSA-N
MW466.41 g/mol
LogP6.50
Rot. Bonds4

About 3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide

3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide (PubChem CID 90858256) has the molecular formula C26H25Cl2N3O and a molecular weight of 466.41 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide
PubChem CID90858256
Molecular FormulaC26H25Cl2N3O
Molecular Weight466.41 g/mol
Exact Mass465.14
IUPAC Name3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide
SMILESO=C(NCc1ccccc1Cl)c1nn(-c2ccc(Cl)cc2)c2c1C1CC3CC(C1)CC2C3
InChIInChI=1S/C26H25Cl2N3O/c27-20-5-7-21(8-6-20)31-25-19-12-15-9-16(13-19)11-18(10-15)23(25)24(30-31)26(32)29-14-17-3-1-2-4-22(17)28/h1-8,15-16,18-19H,9-14H2,(H,29,32)
InChIKeyJARIQABUZCGUKY-UHFFFAOYSA-N
XLogP6.50
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.41
LogP ≤ 56.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-(2-bromophenyl)-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide
CID 91557783
3-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
CID 67029660
N',3-bis(4-chlorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carbohydrazide
CID 67029287
N-tert-butyl-3-(4-chlorophenyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
CID 67029731
3-(4-methoxyphenyl)-N-piperidin-1-yl-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide
CID 91109518
(1S,7S)-3-(4-chlorophenyl)-N-cyclohexyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
CID 15603150
3-(4-chlorophenyl)-N-cyclohexyl-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
CID 67029401
3-(4-chlorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxamide
CID 24953429
N'-(2,4-dichlorophenyl)-3-(2,4-difluorophenyl)-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carbohydrazide
CID 90972958
N-[(2-chlorophenyl)methyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 70943815
6-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
CID 91889818
2-(1-adamantyl)-N-[(2-chlorophenyl)methyl]acetamide
CID 8934558

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide (CID 90858256) is 3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide is O=C(NCc1ccccc1Cl)c1nn(-c2ccc(Cl)cc2)c2c1C1CC3CC(C1)CC2C3.
What is the InChIKey of 3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide?
The InChIKey is JARIQABUZCGUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N3O/c27-20-5-7-21(8-6-20)31-25-19-12-15-9-16(13-19)11-18(10-15)23(25)24(30-31)26(32)29-14-17-3-1-2-4-22(17)28/h1-8,15-16,18-19H,9-14H2,(H,29,32).
What are the key properties of 3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide?
3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide has a molecular weight of 466.41 g/mol, XLogP of 6.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[(2-chlorophenyl)methyl]-3,4-diazatetracyclo[7.3.1.17,11.02,6]tetradeca-2(6),4-diene-5-carboxamide is sourced from PubChem (CID 90858256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).