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

C28H26F2N2O4 — CID 55522292

IUPAC4-(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
SMILESCOc1cc(C(=O)NCC(=O)NCC2CC3c4ccccc4C2c2ccccc23)ccc1OC(F)F
InChIInChI=1S/C28H26F2N2O4/c1-35-24-13-16(10-11-23(24)36-28(29)30)27(34)32-15-25(33)31-14-17-12-22-18-6-2-4-8-20(18)26(17)21-9-5-3-7-19(21)22/h2-11,13,17,22,26,28H,12,14-15H2,1H3,(H,31,33)(H,32,34)
InChIKeyVWHIDEARCAEKMT-UHFFFAOYSA-N
MW492.52 g/mol
LogP4.44
Rot. Bonds8

About 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

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 (PubChem CID 55522292) has the molecular formula C28H26F2N2O4 and a molecular weight of 492.52 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID55522292
Molecular FormulaC28H26F2N2O4
Molecular Weight492.52 g/mol
Exact Mass492.19
IUPAC Name4-(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
SMILESCOc1cc(C(=O)NCC(=O)NCC2CC3c4ccccc4C2c2ccccc23)ccc1OC(F)F
InChIInChI=1S/C28H26F2N2O4/c1-35-24-13-16(10-11-23(24)36-28(29)30)27(34)32-15-25(33)31-14-17-12-22-18-6-2-4-8-20(18)26(17)21-9-5-3-7-19(21)22/h2-11,13,17,22,26,28H,12,14-15H2,1H3,(H,31,33)(H,32,34)
InChIKeyVWHIDEARCAEKMT-UHFFFAOYSA-N
XLogP4.44
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 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 with MolForge

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Related Compounds

4-(3,4-dimethoxyphenyl)-4-oxo-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)butanamide
CID 24655878
4-(difluoromethoxy)-N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]-3-methoxybenzamide
CID 31553535
2-(2-methoxyphenyl)-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)acetamide
CID 24655876
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 9217777
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 9315107
4-(difluoromethoxy)-3-methoxy-N-[2-(3-methylbutylamino)-2-oxoethyl]benzamide
CID 35515205
N-[2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylamino]-2-oxoethyl]benzamide
CID 40716159
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(1-phenylcyclopentyl)methylamino]ethyl]benzamide
CID 36598328
4-(difluoromethoxy)-N-[2-[1-[2-(difluoromethoxy)phenyl]propylamino]-2-oxoethyl]-3-methoxybenzamide
CID 55656144
4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[(2-pyrrolidin-1-ylphenyl)methylamino]ethyl]benzamide
CID 56581973
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-(difluoromethoxy)-3-methoxybenzamide
CID 26533075
4-(difluoromethoxy)-N-[2-(3-fluoroanilino)-2-oxoethyl]-3-methoxybenzamide
CID 9412323

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1cc(C(=O)NCC(=O)NCC2CC3c4ccccc4C2c2ccccc23)ccc1OC(F)F.
What is the InChIKey of 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?
The InChIKey is VWHIDEARCAEKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N2O4/c1-35-24-13-16(10-11-23(24)36-28(29)30)27(34)32-15-25(33)31-14-17-12-22-18-6-2-4-8-20(18)26(17)21-9-5-3-7-19(21)22/h2-11,13,17,22,26,28H,12,14-15H2,1H3,(H,31,33)(H,32,34).
What are the key properties of 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?
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 has a molecular weight of 492.52 g/mol, XLogP of 4.44, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 55522292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).