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

C20H16IN3O — CID 18847714

IUPACN-(4-iodophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
SMILESO=C(Nc1ccc(I)cc1)c1ccc2nc3c(nc2c1)C1CCC3C1
InChIInChI=1S/C20H16IN3O/c21-14-4-6-15(7-5-14)22-20(25)13-3-8-16-17(10-13)24-19-12-2-1-11(9-12)18(19)23-16/h3-8,10-12H,1-2,9H2,(H,22,25)
InChIKeyKFIZGEKSDGIHPX-UHFFFAOYSA-N
MW441.27 g/mol
LogP4.85
Rot. Bonds2

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

N-(4-iodophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide (PubChem CID 18847714) has the molecular formula C20H16IN3O and a molecular weight of 441.27 g/mol. Its IUPAC name is N-(4-iodophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide.

Molecular Properties

Compound NameN-(4-iodophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
PubChem CID18847714
Molecular FormulaC20H16IN3O
Molecular Weight441.27 g/mol
Exact Mass441.03
IUPAC NameN-(4-iodophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
SMILESO=C(Nc1ccc(I)cc1)c1ccc2nc3c(nc2c1)C1CCC3C1
InChIInChI=1S/C20H16IN3O/c21-14-4-6-15(7-5-14)22-20(25)13-3-8-16-17(10-13)24-19-12-2-1-11(9-12)18(19)23-16/h3-8,10-12H,1-2,9H2,(H,22,25)
InChIKeyKFIZGEKSDGIHPX-UHFFFAOYSA-N
XLogP4.85
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.27
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-(4-propan-2-ylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847662
N-(3,5-dimethylphenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847635
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
N-[2-(trifluoromethyl)phenyl]-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847653
N-(4,5-dimethyl-1,3-thiazol-2-yl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide
CID 18847721
4-iodo-N-[4-[(4-iodobenzoyl)amino]phenyl]benzamide
CID 4105689
N-(4-iodophenyl)quinoline-6-carboxamide
CID 60723213
1-N,3-N,5-N-tris(4-iodophenyl)benzene-1,3,5-tricarboxamide
CID 102258249
4-[(4-iodobenzoyl)amino]benzenesulfonyl chloride
CID 43124844
4-hydroxy-1-N,3-N-bis(4-iodophenyl)benzene-1,3-dicarboxamide
CID 86118799
N-(4-iodophenyl)-3-sulfanylbenzamide
CID 107022116
2-(1-adamantyl)-N-(4-iodophenyl)pyridine-4-carboxamide
CID 4731524

Frequently Asked Questions

What is the IUPAC name of N-(4-iodophenyl)-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-(4-iodophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide (CID 18847714) is N-(4-iodophenyl)-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-(4-iodophenyl)-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-(4-iodophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide is O=C(Nc1ccc(I)cc1)c1ccc2nc3c(nc2c1)C1CCC3C1.
What is the InChIKey of N-(4-iodophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
The InChIKey is KFIZGEKSDGIHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16IN3O/c21-14-4-6-15(7-5-14)22-20(25)13-3-8-16-17(10-13)24-19-12-2-1-11(9-12)18(19)23-16/h3-8,10-12H,1-2,9H2,(H,22,25).
What are the key properties of N-(4-iodophenyl)-3,10-diazatetracyclo[10.2.1.02,11.04,9]pentadeca-2,4(9),5,7,10-pentaene-6-carboxamide?
N-(4-iodophenyl)-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 441.27 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodophenyl)-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 18847714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).