N-(3-chlorophenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide

C21H17ClN4O3 — CID 4890916

IUPACN-(3-chlorophenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide
SMILESO=C(Cn1cnc2c(oc3nc4c(cc32)CCCC4)c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C21H17ClN4O3/c22-13-5-3-6-14(9-13)24-17(27)10-26-11-23-18-15-8-12-4-1-2-7-16(12)25-20(15)29-19(18)21(26)28/h3,5-6,8-9,11H,1-2,4,7,10H2,(H,24,27)
InChIKeyFPLZYPKSLCLFPQ-UHFFFAOYSA-N
MW408.85 g/mol
LogP3.71
Rot. Bonds3

About N-(3-chlorophenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide

N-(3-chlorophenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide (PubChem CID 4890916) has the molecular formula C21H17ClN4O3 and a molecular weight of 408.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide
PubChem CID4890916
Molecular FormulaC21H17ClN4O3
Molecular Weight408.85 g/mol
Exact Mass408.10
IUPAC NameN-(3-chlorophenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide
SMILESO=C(Cn1cnc2c(oc3nc4c(cc32)CCCC4)c1=O)Nc1cccc(Cl)c1
InChIInChI=1S/C21H17ClN4O3/c22-13-5-3-6-14(9-13)24-17(27)10-26-11-23-18-15-8-12-4-1-2-7-16(12)25-20(15)29-19(18)21(26)28/h3,5-6,8-9,11H,1-2,4,7,10H2,(H,24,27)
InChIKeyFPLZYPKSLCLFPQ-UHFFFAOYSA-N
XLogP3.71
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.85
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chlorophenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide (CID 4890916) is N-(3-chlorophenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide is O=C(Cn1cnc2c(oc3nc4c(cc32)CCCC4)c1=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide?
The InChIKey is FPLZYPKSLCLFPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3/c22-13-5-3-6-14(9-13)24-17(27)10-26-11-23-18-15-8-12-4-1-2-7-16(12)25-20(15)29-19(18)21(26)28/h3,5-6,8-9,11H,1-2,4,7,10H2,(H,24,27).
What are the key properties of N-(3-chlorophenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide?
N-(3-chlorophenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide has a molecular weight of 408.85 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(15-oxo-17-oxa-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1(10),2,8,11(16),12-pentaen-14-yl)acetamide is sourced from PubChem (CID 4890916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).