N-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide

C23H19F5N2O2 — CID 16577157

IUPACN-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2NCc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C23H19F5N2O2/c1-32-14-8-6-13(7-9-14)10-11-29-23(31)15-4-2-3-5-17(15)30-12-16-18(24)20(26)22(28)21(27)19(16)25/h2-9,30H,10-12H2,1H3,(H,29,31)
InChIKeyGZULBPOICDFYMN-UHFFFAOYSA-N
MW450.41 g/mol
LogP4.98
Rot. Bonds8

About N-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide

N-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide (PubChem CID 16577157) has the molecular formula C23H19F5N2O2 and a molecular weight of 450.41 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide
PubChem CID16577157
Molecular FormulaC23H19F5N2O2
Molecular Weight450.41 g/mol
Exact Mass450.14
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccccc2NCc2c(F)c(F)c(F)c(F)c2F)cc1
InChIInChI=1S/C23H19F5N2O2/c1-32-14-8-6-13(7-9-14)10-11-29-23(31)15-4-2-3-5-17(15)30-12-16-18(24)20(26)22(28)21(27)19(16)25/h2-9,30H,10-12H2,1H3,(H,29,31)
InChIKeyGZULBPOICDFYMN-UHFFFAOYSA-N
XLogP4.98
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.41
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxyphenyl)-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide
CID 17398533
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide
CID 135953948
N-[2-(4-methoxyphenyl)ethyl]-2-sulfanylbenzamide
CID 103601610
2-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]benzamide
CID 62185963
2-bromo-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 699177
N-[2-(4-methoxyphenyl)ethyl]naphthalene-1-carboxamide
CID 2231008
2-[(4-methoxybenzoyl)amino]-N-(2-phenylethyl)benzamide
CID 2193182
2-[[2-(4-ethylanilino)-2-oxoethyl]amino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 18267087
1-(2-fluorophenyl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 3548825
2-fluoro-6-hydroxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 104916422
N-[2-(4-methoxyphenyl)ethyl]-2-[[2-(2-methyl-3-nitroanilino)-2-oxoethyl]amino]benzamide
CID 4882581
2,3-dimethoxy-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 35509323

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide (CID 16577157) is N-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide is COc1ccc(CCNC(=O)c2ccccc2NCc2c(F)c(F)c(F)c(F)c2F)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide?
The InChIKey is GZULBPOICDFYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F5N2O2/c1-32-14-8-6-13(7-9-14)10-11-29-23(31)15-4-2-3-5-17(15)30-12-16-18(24)20(26)22(28)21(27)19(16)25/h2-9,30H,10-12H2,1H3,(H,29,31).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide?
N-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide has a molecular weight of 450.41 g/mol, XLogP of 4.98, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-2-[(2,3,4,5,6-pentafluorophenyl)methylamino]benzamide is sourced from PubChem (CID 16577157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).