N-(3-chlorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide

C22H20ClN3O2 — CID 2135751

IUPACN-(3-chlorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
SMILES[H]/N=c1\oc2c3c4c(cc2cc1C(=O)Nc1cccc(Cl)c1)CCCN4CCC3
InChIInChI=1S/C22H20ClN3O2/c23-15-5-1-6-16(12-15)25-22(27)18-11-14-10-13-4-2-8-26-9-3-7-17(19(13)26)20(14)28-21(18)24/h1,5-6,10-12,24H,2-4,7-9H2,(H,25,27)/b24-21-
InChIKeyHDCGBEGDNICEIO-FLFQWRMESA-N
MW393.87 g/mol
LogP4.52
Rot. Bonds2

About N-(3-chlorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide

N-(3-chlorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide (PubChem CID 2135751) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
PubChem CID2135751
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC NameN-(3-chlorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide
SMILES[H]/N=c1\oc2c3c4c(cc2cc1C(=O)Nc1cccc(Cl)c1)CCCN4CCC3
InChIInChI=1S/C22H20ClN3O2/c23-15-5-1-6-16(12-15)25-22(27)18-11-14-10-13-4-2-8-26-9-3-7-17(19(13)26)20(14)28-21(18)24/h1,5-6,10-12,24H,2-4,7-9H2,(H,25,27)/b24-21-
InChIKeyHDCGBEGDNICEIO-FLFQWRMESA-N
XLogP4.52
TPSA69.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.87
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide (CID 2135751) is N-(3-chlorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide is [H]/N=c1\oc2c3c4c(cc2cc1C(=O)Nc1cccc(Cl)c1)CCCN4CCC3.
What is the InChIKey of N-(3-chlorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide?
The InChIKey is HDCGBEGDNICEIO-FLFQWRMESA-N. The full InChI is InChI=1S/C22H20ClN3O2/c23-15-5-1-6-16(12-15)25-22(27)18-11-14-10-13-4-2-8-26-9-3-7-17(19(13)26)20(14)28-21(18)24/h1,5-6,10-12,24H,2-4,7-9H2,(H,25,27)/b24-21-.
What are the key properties of N-(3-chlorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide?
N-(3-chlorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 4.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-4-imino-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,5,7,9(17)-tetraene-5-carboxamide is sourced from PubChem (CID 2135751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).