2-fluoro-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide

C26H23FN2O2 — CID 24631542

IUPAC2-fluoro-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C26H23FN2O2/c27-23-12-6-5-11-21(23)26(31)29-15-24(30)28-14-16-13-22-17-7-1-3-9-19(17)25(16)20-10-4-2-8-18(20)22/h1-12,16,22,25H,13-15H2,(H,28,30)(H,29,31)
InChIKeyDHKCBDQKWBFFGU-UHFFFAOYSA-N
MW414.48 g/mol
LogP3.97
Rot. Bonds5

About 2-fluoro-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide

2-fluoro-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide (PubChem CID 24631542) has the molecular formula C26H23FN2O2 and a molecular weight of 414.48 g/mol. Its IUPAC name is 2-fluoro-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide
PubChem CID24631542
Molecular FormulaC26H23FN2O2
Molecular Weight414.48 g/mol
Exact Mass414.17
IUPAC Name2-fluoro-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide
SMILESO=C(CNC(=O)c1ccccc1F)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C26H23FN2O2/c27-23-12-6-5-11-21(23)26(31)29-15-24(30)28-14-16-13-22-17-7-1-3-9-19(17)25(16)20-10-4-2-8-18(20)22/h1-12,16,22,25H,13-15H2,(H,28,30)(H,29,31)
InChIKeyDHKCBDQKWBFFGU-UHFFFAOYSA-N
XLogP3.97
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.48
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide with MolForge

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Related Compounds

2-ethoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide
CID 42939468
2-(methylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide;hydrochloride
CID 119689610
2-(cyclopropylmethylamino)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 119689613
N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide
CID 46553517
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide
CID 55522292
2-phenoxy-N-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]acetamide
CID 30394821
2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 42940509
3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 16762907
2-fluoro-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 9163327
N-[(2S)-4-oxo-4-[[(15R)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methylamino]butan-2-yl]benzamide
CID 30693866
2-(1H-indol-3-yl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 24555614
3-methyl-2-nitro-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)benzamide
CID 18284036

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide?
The IUPAC name of 2-fluoro-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide (CID 24631542) is 2-fluoro-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide is O=C(CNC(=O)c1ccccc1F)NCC1CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of 2-fluoro-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide?
The InChIKey is DHKCBDQKWBFFGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN2O2/c27-23-12-6-5-11-21(23)26(31)29-15-24(30)28-14-16-13-22-17-7-1-3-9-19(17)25(16)20-10-4-2-8-18(20)22/h1-12,16,22,25H,13-15H2,(H,28,30)(H,29,31).
What are the key properties of 2-fluoro-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide?
2-fluoro-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide has a molecular weight of 414.48 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[2-oxo-2-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethylamino)ethyl]benzamide is sourced from PubChem (CID 24631542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).