4-chloro-N-[2-(11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl)-2-oxoethyl]benzamide

C23H19ClN2O4 — CID 2766904

IUPAC4-chloro-N-[2-(11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1OCC2COc3ccc4ccccc4c3C21)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN2O4/c24-17-8-5-15(6-9-17)23(28)25-11-20(27)26-22-16(13-30-26)12-29-19-10-7-14-3-1-2-4-18(14)21(19)22/h1-10,16,22H,11-13H2,(H,25,28)
InChIKeyJTXIQBYZPFBJNW-UHFFFAOYSA-N
MW422.87 g/mol
LogP3.75
Rot. Bonds3

About 4-chloro-N-[2-(11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl)-2-oxoethyl]benzamide

4-chloro-N-[2-(11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl)-2-oxoethyl]benzamide (PubChem CID 2766904) has the molecular formula C23H19ClN2O4 and a molecular weight of 422.87 g/mol. Its IUPAC name is 4-chloro-N-[2-(11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-(11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl)-2-oxoethyl]benzamide
PubChem CID2766904
Molecular FormulaC23H19ClN2O4
Molecular Weight422.87 g/mol
Exact Mass422.10
IUPAC Name4-chloro-N-[2-(11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl)-2-oxoethyl]benzamide
SMILESO=C(NCC(=O)N1OCC2COc3ccc4ccccc4c3C21)c1ccc(Cl)cc1
InChIInChI=1S/C23H19ClN2O4/c24-17-8-5-15(6-9-17)23(28)25-11-20(27)26-22-16(13-30-26)12-29-19-10-7-14-3-1-2-4-18(14)21(19)22/h1-10,16,22H,11-13H2,(H,25,28)
InChIKeyJTXIQBYZPFBJNW-UHFFFAOYSA-N
XLogP3.75
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.87
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-chloro-N-[2-(11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl)-2-oxoethyl]benzamide with MolForge

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Related Compounds

(NE)-N-(dimethylaminomethylidene)-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene-16-carboxamide
CID 20850720
4-chloro-N-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]benzamide
CID 4779688
(13S,17R)-16-[(1R)-2-methoxy-1-phenylethyl]-11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaene
CID 11057528
4-chloro-N-[2-(4-hydroxypiperidin-1-yl)-2-oxoethyl]benzamide
CID 43391762
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethylcarbamothioyl)benzamide
CID 2821754
N-[2-(4-benzoylpiperidin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 41308736
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-4-chlorobenzamide
CID 112991929
4-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)benzamide
CID 110751613
4-chloro-N-[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]benzamide
CID 60958174
2-[(4-chlorobenzoyl)amino]acetyl chloride
CID 14545092
1-[2-[(4-chlorobenzoyl)amino]acetyl]-N-phenylpiperidine-4-carboxamide
CID 26462507
3-(4-chlorophenyl)-1-phenanthren-3-ylprop-2-en-1-one
CID 2795097

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl)-2-oxoethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-(11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl)-2-oxoethyl]benzamide (CID 2766904) is 4-chloro-N-[2-(11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-(11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl)-2-oxoethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-(11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl)-2-oxoethyl]benzamide is O=C(NCC(=O)N1OCC2COc3ccc4ccccc4c3C21)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-(11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl)-2-oxoethyl]benzamide?
The InChIKey is JTXIQBYZPFBJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O4/c24-17-8-5-15(6-9-17)23(28)25-11-20(27)26-22-16(13-30-26)12-29-19-10-7-14-3-1-2-4-18(14)21(19)22/h1-10,16,22H,11-13H2,(H,25,28).
What are the key properties of 4-chloro-N-[2-(11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl)-2-oxoethyl]benzamide?
4-chloro-N-[2-(11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl)-2-oxoethyl]benzamide has a molecular weight of 422.87 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(11,15-dioxa-16-azatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,8-pentaen-16-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 2766904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).