2-chloro-4,5-difluoro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide

C24H18ClF2NO — CID 18292880

IUPAC2-chloro-4,5-difluoro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
SMILESO=C(NCC1CC2c3ccccc3C1c1ccccc12)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C24H18ClF2NO/c25-20-11-22(27)21(26)10-19(20)24(29)28-12-13-9-18-14-5-1-3-7-16(14)23(13)17-8-4-2-6-15(17)18/h1-8,10-11,13,18,23H,9,12H2,(H,28,29)
InChIKeyIKKMBSIXROCMKS-UHFFFAOYSA-N
MW409.86 g/mol
LogP5.65
Rot. Bonds3

About 2-chloro-4,5-difluoro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide

2-chloro-4,5-difluoro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide (PubChem CID 18292880) has the molecular formula C24H18ClF2NO and a molecular weight of 409.86 g/mol. Its IUPAC name is 2-chloro-4,5-difluoro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4,5-difluoro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
PubChem CID18292880
Molecular FormulaC24H18ClF2NO
Molecular Weight409.86 g/mol
Exact Mass409.10
IUPAC Name2-chloro-4,5-difluoro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
SMILESO=C(NCC1CC2c3ccccc3C1c1ccccc12)c1cc(F)c(F)cc1Cl
InChIInChI=1S/C24H18ClF2NO/c25-20-11-22(27)21(26)10-19(20)24(29)28-12-13-9-18-14-5-1-3-7-16(14)23(13)17-8-4-2-6-15(17)18/h1-8,10-11,13,18,23H,9,12H2,(H,28,29)
InChIKeyIKKMBSIXROCMKS-UHFFFAOYSA-N
XLogP5.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.86
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,5-difluoro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide?
The IUPAC name of 2-chloro-4,5-difluoro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide (CID 18292880) is 2-chloro-4,5-difluoro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide.
What is the SMILES notation for 2-chloro-4,5-difluoro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide?
The canonical SMILES for 2-chloro-4,5-difluoro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide is O=C(NCC1CC2c3ccccc3C1c1ccccc12)c1cc(F)c(F)cc1Cl.
What is the InChIKey of 2-chloro-4,5-difluoro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide?
The InChIKey is IKKMBSIXROCMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF2NO/c25-20-11-22(27)21(26)10-19(20)24(29)28-12-13-9-18-14-5-1-3-7-16(14)23(13)17-8-4-2-6-15(17)18/h1-8,10-11,13,18,23H,9,12H2,(H,28,29).
What are the key properties of 2-chloro-4,5-difluoro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide?
2-chloro-4,5-difluoro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide has a molecular weight of 409.86 g/mol, XLogP of 5.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,5-difluoro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide is sourced from PubChem (CID 18292880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).