(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

C27H19ClFN3O3 — CID 6584849

IUPAC(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
SMILESO=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21
InChIInChI=1S/C27H19ClFN3O3/c28-16-6-10-18(11-7-16)30-25(33)24-23-22(21-14-5-15-3-1-2-4-20(15)32(21)24)26(34)31(27(23)35)19-12-8-17(29)9-13-19/h1-14,21-24H,(H,30,33)/t21-,22-,23-,24+/m1/s1
InChIKeyGGMKBFLNEQPOKC-YCAMKHIRSA-N
MW487.92 g/mol
LogP4.51
Rot. Bonds3

About (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

(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 (PubChem CID 6584849) has the molecular formula C27H19ClFN3O3 and a molecular weight of 487.92 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID6584849
Molecular FormulaC27H19ClFN3O3
Molecular Weight487.92 g/mol
Exact Mass487.11
IUPAC Name(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
SMILESO=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21
InChIInChI=1S/C27H19ClFN3O3/c28-16-6-10-18(11-7-16)30-25(33)24-23-22(21-14-5-15-3-1-2-4-20(15)32(21)24)26(34)31(27(23)35)19-12-8-17(29)9-13-19/h1-14,21-24H,(H,30,33)/t21-,22-,23-,24+/m1/s1
InChIKeyGGMKBFLNEQPOKC-YCAMKHIRSA-N
XLogP4.51
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.92
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Related Compounds

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
16-acetyl-13-(4-fluorophenyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 3735511
(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
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
(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,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
(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
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
N-(4-chlorophenyl)-14-(4-fluorophenyl)-13,15-dioxo-9,10,14-triazatetracyclo[8.6.0.02,7.012,16]hexadeca-2,4,6,8-tetraene-11-carboxamide
CID 3811635
benzhydryl 13-(4-fluorophenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxylate
CID 3851772
16-(4-chlorobenzoyl)-13-(4-methoxyphenyl)-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-12,14-dione
CID 3824072
(4-benzoylphenyl) (10R,11R,15R,16S)-13-(4-chlorophenyl)-12,14-dioxo-1,13-diazatetracyclo[8.6.0.02,7.011,15]hexadeca-2,4,6,8-tetraene-16-carboxylate
CID 100877220

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N21.
What is the InChIKey of (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?
The InChIKey is GGMKBFLNEQPOKC-YCAMKHIRSA-N. The full InChI is InChI=1S/C27H19ClFN3O3/c28-16-6-10-18(11-7-16)30-25(33)24-23-22(21-14-5-15-3-1-2-4-20(15)32(21)24)26(34)31(27(23)35)19-12-8-17(29)9-13-19/h1-14,21-24H,(H,30,33)/t21-,22-,23-,24+/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 487.92 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 6584849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).