4-chloro-N-[(2,6-difluoro-4-methylphenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide

C25H20ClF2N3O4 — CID 159991182

IUPAC4-chloro-N-[(2,6-difluoro-4-methylphenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide
SMILESCc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2CCc4ccc(Cl)cc4C3C2)c(F)c1
InChIInChI=1S/C25H20ClF2N3O4/c1-12-6-18(27)16(19(28)7-12)9-29-24(34)17-10-31-20-11-30(25(35)21(31)23(33)22(17)32)5-4-13-2-3-14(26)8-15(13)20/h2-3,6-8,10,20,33H,4-5,9,11H2,1H3,(H,29,34)
InChIKeyIAUWTJRLNIXLEA-UHFFFAOYSA-N
MW499.90 g/mol
LogP3.33
Rot. Bonds3

About 4-chloro-N-[(2,6-difluoro-4-methylphenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide

4-chloro-N-[(2,6-difluoro-4-methylphenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide (PubChem CID 159991182) has the molecular formula C25H20ClF2N3O4 and a molecular weight of 499.90 g/mol. Its IUPAC name is 4-chloro-N-[(2,6-difluoro-4-methylphenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(2,6-difluoro-4-methylphenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide
PubChem CID159991182
Molecular FormulaC25H20ClF2N3O4
Molecular Weight499.90 g/mol
Exact Mass499.11
IUPAC Name4-chloro-N-[(2,6-difluoro-4-methylphenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide
SMILESCc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2CCc4ccc(Cl)cc4C3C2)c(F)c1
InChIInChI=1S/C25H20ClF2N3O4/c1-12-6-18(27)16(19(28)7-12)9-29-24(34)17-10-31-20-11-30(25(35)21(31)23(33)22(17)32)5-4-13-2-3-14(26)8-15(13)20/h2-3,6-8,10,20,33H,4-5,9,11H2,1H3,(H,29,34)
InChIKeyIAUWTJRLNIXLEA-UHFFFAOYSA-N
XLogP3.33
TPSA91.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.90
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[(2,6-difluoro-4-methylphenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide with MolForge

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Related Compounds

5-chloro-13-hydroxy-11,14-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide
CID 155155234
(1S)-4-chloro-11,14-dioxo-13-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide
CID 155145581
(1R)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide;(1S)-5-chloro-N-[(2,4-difluorophenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide
CID 160527999
(1S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-12-fluoro-6-hydroxy-5,8-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6,12-triene-4-carboxamide
CID 159132815
5-chloro-N-[(2,6-difluoro-4-methylphenyl)methyl]-15-hydroxy-14,17-dioxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2(7),3,5,12,15-pentaene-13-carboxamide
CID 158936992
(10S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-15-hydroxy-14,17-dioxo-1,11-diazatetracyclo[8.7.1.03,8.011,16]octadeca-3,5,7,12,15-pentaene-13-carboxamide
CID 158293620
(1S,11S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-6-hydroxy-11-methyl-5,8-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6-diene-4-carboxamide
CID 158865909
(10R)-N-[(2,6-difluoro-4-methylphenyl)methyl]-4,5-difluoro-15-hydroxy-14,17-dioxo-1,11-diazatetracyclo[8.7.1.02,7.011,16]octadeca-2,4,6,12,15-pentaene-13-carboxamide
CID 159078103
(1S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-6-hydroxy-13-methyl-5,8-dioxo-2,9,13,14-tetrazatetracyclo[7.7.1.02,7.011,15]heptadeca-3,6,11,14-tetraene-4-carboxamide
CID 162085865
(1S)-11,14-dioxo-13-phenylmethoxy-N-[(2,4,6-trifluorophenyl)methyl]-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2,4,6,12,15-pentaene-15-carboxamide
CID 155146090
(1S)-6-hydroxy-5,8-dioxo-N-[(2,4,6-trifluorophenyl)methyl]-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6,12-triene-4-carboxamide
CID 155146051
(1S,10S)-N-[(2,6-difluoro-4-methylphenyl)methyl]-11-fluoro-6-hydroxy-10-methyl-5,8-dioxo-2,9-diazatricyclo[7.4.1.02,7]tetradeca-3,6,11-triene-4-carboxamide
CID 161435381

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(2,6-difluoro-4-methylphenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide?
The IUPAC name of 4-chloro-N-[(2,6-difluoro-4-methylphenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide (CID 159991182) is 4-chloro-N-[(2,6-difluoro-4-methylphenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide.
What is the SMILES notation for 4-chloro-N-[(2,6-difluoro-4-methylphenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide?
The canonical SMILES for 4-chloro-N-[(2,6-difluoro-4-methylphenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide is Cc1cc(F)c(CNC(=O)c2cn3c(c(O)c2=O)C(=O)N2CCc4ccc(Cl)cc4C3C2)c(F)c1.
What is the InChIKey of 4-chloro-N-[(2,6-difluoro-4-methylphenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide?
The InChIKey is IAUWTJRLNIXLEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClF2N3O4/c1-12-6-18(27)16(19(28)7-12)9-29-24(34)17-10-31-20-11-30(25(35)21(31)23(33)22(17)32)5-4-13-2-3-14(26)8-15(13)20/h2-3,6-8,10,20,33H,4-5,9,11H2,1H3,(H,29,34).
What are the key properties of 4-chloro-N-[(2,6-difluoro-4-methylphenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide?
4-chloro-N-[(2,6-difluoro-4-methylphenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide has a molecular weight of 499.90 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(2,6-difluoro-4-methylphenyl)methyl]-13-hydroxy-11,14-dioxo-10,17-diazatetracyclo[8.7.1.02,7.012,17]octadeca-2(7),3,5,12,15-pentaene-15-carboxamide is sourced from PubChem (CID 159991182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).