N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide

C18H16F5NO3 — CID 131943368

IUPACN-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILESO=C(c1ccccc1OC(F)(F)C(F)F)N(CCO)Cc1ccc(F)cc1
InChIInChI=1S/C18H16F5NO3/c19-13-7-5-12(6-8-13)11-24(9-10-25)16(26)14-3-1-2-4-15(14)27-18(22,23)17(20)21/h1-8,17,25H,9-11H2
InChIKeyGJFBKAQWRLCCEQ-UHFFFAOYSA-N
MW389.32 g/mol
LogP3.70
Rot. Bonds8

About N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide

N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide (PubChem CID 131943368) has the molecular formula C18H16F5NO3 and a molecular weight of 389.32 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide
PubChem CID131943368
Molecular FormulaC18H16F5NO3
Molecular Weight389.32 g/mol
Exact Mass389.11
IUPAC NameN-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide
SMILESO=C(c1ccccc1OC(F)(F)C(F)F)N(CCO)Cc1ccc(F)cc1
InChIInChI=1S/C18H16F5NO3/c19-13-7-5-12(6-8-13)11-24(9-10-25)16(26)14-3-1-2-4-15(14)27-18(22,23)17(20)21/h1-8,17,25H,9-11H2
InChIKeyGJFBKAQWRLCCEQ-UHFFFAOYSA-N
XLogP3.70
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.32
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-2-bromo-N-(2-hydroxyethyl)benzamide
CID 3290123
N-[(4-fluorophenyl)methyl]-N-(3-hydroxypropyl)-2-morpholin-4-ylbenzamide
CID 131930823
2-ethoxy-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 107483427
N-benzyl-2-(difluoromethoxy)-N-(2-methoxyethyl)benzamide
CID 134028335
N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-3-(methoxymethyl)-4-phenylmethoxypyridine-2-carboxamide
CID 143248040
N-benzyl-N-(2-hydroxyethyl)-2-oxo-1H-pyridine-3-carboxamide
CID 60653937
2-[(4-fluorophenyl)methoxy]-N,N-dipropylbenzamide
CID 13073631
N-benzyl-2,2-difluoro-N-(2-hydroxyethyl)acetamide
CID 103513904
[4-[[(4-fluorophenyl)methyl-(2-methoxybenzoyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 3897805
N-benzyl-2-[(4-fluorophenyl)methylcarbamoylamino]-N-(2-hydroxyethyl)acetamide
CID 78855212
N-(3-aminopropyl)-N-[(4-fluorophenyl)methyl]-2-[(3-methylphenyl)methoxy]benzamide
CID 71214650
2-(difluoromethoxy)-N-ethyl-4-fluoro-N-(2-hydroxyethyl)benzamide
CID 109468392

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide (CID 131943368) is N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide is O=C(c1ccccc1OC(F)(F)C(F)F)N(CCO)Cc1ccc(F)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
The InChIKey is GJFBKAQWRLCCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F5NO3/c19-13-7-5-12(6-8-13)11-24(9-10-25)16(26)14-3-1-2-4-15(14)27-18(22,23)17(20)21/h1-8,17,25H,9-11H2.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide?
N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide has a molecular weight of 389.32 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-(2-hydroxyethyl)-2-(1,1,2,2-tetrafluoroethoxy)benzamide is sourced from PubChem (CID 131943368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).