(10S,11S,15R,16S)-N-(4-chlorophenyl)-13-(2,4-dimethylphenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide

C29H24ClN3O3 — CID 98511449

IUPAC(10S,11S,15R,16S)-N-(4-chlorophenyl)-13-(2,4-dimethylphenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide
SMILESCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=Cc4ccccc4N2[C@@H]3C(=O)Nc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C29H24ClN3O3/c1-16-7-13-21(17(2)15-16)33-28(35)24-23-14-8-18-5-3-4-6-22(18)32(23)26(25(24)29(33)36)27(34)31-20-11-9-19(30)10-12-20/h3-15,23-26H,1-2H3,(H,31,34)/t23-,24+,25+,26-/m0/s1
InChIKeyJYDCKBUQHNKXSP-QUMGSSFMSA-N
MW497.98 g/mol
LogP4.99
Rot. Bonds3

About (10S,11S,15R,16S)-N-(4-chlorophenyl)-13-(2,4-dimethylphenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide

(10S,11S,15R,16S)-N-(4-chlorophenyl)-13-(2,4-dimethylphenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide (PubChem CID 98511449) has the molecular formula C29H24ClN3O3 and a molecular weight of 497.98 g/mol. Its IUPAC name is (10S,11S,15R,16S)-N-(4-chlorophenyl)-13-(2,4-dimethylphenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide.

Molecular Properties

Compound Name(10S,11S,15R,16S)-N-(4-chlorophenyl)-13-(2,4-dimethylphenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide
PubChem CID98511449
Molecular FormulaC29H24ClN3O3
Molecular Weight497.98 g/mol
Exact Mass497.15
IUPAC Name(10S,11S,15R,16S)-N-(4-chlorophenyl)-13-(2,4-dimethylphenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide
SMILESCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=Cc4ccccc4N2[C@@H]3C(=O)Nc2ccc(Cl)cc2)c(C)c1
InChIInChI=1S/C29H24ClN3O3/c1-16-7-13-21(17(2)15-16)33-28(35)24-23-14-8-18-5-3-4-6-22(18)32(23)26(25(24)29(33)36)27(34)31-20-11-9-19(30)10-12-20/h3-15,23-26H,1-2H3,(H,31,34)/t23-,24+,25+,26-/m0/s1
InChIKeyJYDCKBUQHNKXSP-QUMGSSFMSA-N
XLogP4.99
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.98
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (10S,11S,15R,16S)-N-(4-chlorophenyl)-13-(2,4-dimethylphenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide with MolForge

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Related Compounds

(10R,11R,15R,16S)-13-(2-methyl-4-nitrophenyl)-N-(4-nitrophenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide
CID 98512861
(10R,11S,15R,16S)-N-(4-chlorophenyl)-13-(4-fluorophenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide
CID 6584849
N-(4-chlorophenyl)-13-(4-methoxyphenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide
CID 3740707
(10S,11S,15R,16S)-13-(2,4-dichlorophenyl)-N-(4-nitrophenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide
CID 100884934
(1R,11R,12R,16S)-N-(4-chlorophenyl)-14-(2,4-dimethylphenyl)-13,15-dioxo-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
CID 124793362
13-(2-chlorophenyl)-N-(4-nitrophenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide
CID 3720062
(10S,11R,15R,16S)-13-(3-chlorophenyl)-N-(4-nitrophenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide
CID 124779441
(10R,11R,15R,16S)-16-(4-chlorobenzoyl)-13-(2-chlorophenyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 124786125
(10S,11R,15R,16S)-16-acetyl-13-(2-methyl-4-nitrophenyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 92508863
N-(2,5-dimethoxyphenyl)-13-(4-methylphenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide
CID 3795667
(10R,11R,15S,16R)-13-(4-acetylphenyl)-N-(4-nitrophenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide
CID 124828507
16-benzoyl-13-(4-chlorophenyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 3774989

Frequently Asked Questions

What is the IUPAC name of (10S,11S,15R,16S)-N-(4-chlorophenyl)-13-(2,4-dimethylphenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide?
The IUPAC name of (10S,11S,15R,16S)-N-(4-chlorophenyl)-13-(2,4-dimethylphenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide (CID 98511449) is (10S,11S,15R,16S)-N-(4-chlorophenyl)-13-(2,4-dimethylphenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide.
What is the SMILES notation for (10S,11S,15R,16S)-N-(4-chlorophenyl)-13-(2,4-dimethylphenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide?
The canonical SMILES for (10S,11S,15R,16S)-N-(4-chlorophenyl)-13-(2,4-dimethylphenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide is Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=Cc4ccccc4N2[C@@H]3C(=O)Nc2ccc(Cl)cc2)c(C)c1.
What is the InChIKey of (10S,11S,15R,16S)-N-(4-chlorophenyl)-13-(2,4-dimethylphenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide?
The InChIKey is JYDCKBUQHNKXSP-QUMGSSFMSA-N. The full InChI is InChI=1S/C29H24ClN3O3/c1-16-7-13-21(17(2)15-16)33-28(35)24-23-14-8-18-5-3-4-6-22(18)32(23)26(25(24)29(33)36)27(34)31-20-11-9-19(30)10-12-20/h3-15,23-26H,1-2H3,(H,31,34)/t23-,24+,25+,26-/m0/s1.
What are the key properties of (10S,11S,15R,16S)-N-(4-chlorophenyl)-13-(2,4-dimethylphenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide?
(10S,11S,15R,16S)-N-(4-chlorophenyl)-13-(2,4-dimethylphenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide has a molecular weight of 497.98 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,11S,15R,16S)-N-(4-chlorophenyl)-13-(2,4-dimethylphenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxamide is sourced from PubChem (CID 98511449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).