N-[2,4-difluoro-6-[2-(4-hydroxyphenyl)ethyl]phenyl]-2-methylpropanamide

C18H19F2NO2 — CID 44531360

IUPACN-[2,4-difluoro-6-[2-(4-hydroxyphenyl)ethyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c(F)cc(F)cc1CCc1ccc(O)cc1
InChIInChI=1S/C18H19F2NO2/c1-11(2)18(23)21-17-13(9-14(19)10-16(17)20)6-3-12-4-7-15(22)8-5-12/h4-5,7-11,22H,3,6H2,1-2H3,(H,21,23)
InChIKeyCAVDOIFCLSHDDI-UHFFFAOYSA-N
MW319.35 g/mol
LogP4.05
Rot. Bonds5

About N-[2,4-difluoro-6-[2-(4-hydroxyphenyl)ethyl]phenyl]-2-methylpropanamide

N-[2,4-difluoro-6-[2-(4-hydroxyphenyl)ethyl]phenyl]-2-methylpropanamide (PubChem CID 44531360) has the molecular formula C18H19F2NO2 and a molecular weight of 319.35 g/mol. Its IUPAC name is N-[2,4-difluoro-6-[2-(4-hydroxyphenyl)ethyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2,4-difluoro-6-[2-(4-hydroxyphenyl)ethyl]phenyl]-2-methylpropanamide
PubChem CID44531360
Molecular FormulaC18H19F2NO2
Molecular Weight319.35 g/mol
Exact Mass319.14
IUPAC NameN-[2,4-difluoro-6-[2-(4-hydroxyphenyl)ethyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1c(F)cc(F)cc1CCc1ccc(O)cc1
InChIInChI=1S/C18H19F2NO2/c1-11(2)18(23)21-17-13(9-14(19)10-16(17)20)6-3-12-4-7-15(22)8-5-12/h4-5,7-11,22H,3,6H2,1-2H3,(H,21,23)
InChIKeyCAVDOIFCLSHDDI-UHFFFAOYSA-N
XLogP4.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.35
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-cycloheptyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
CID 25022554
3-cyclopentyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
CID 25060572
3-(cyclohexylmethyl)-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
CID 25060573
3-cyclohexyl-6,7-difluoro-3-(4-hydroxyphenyl)-1H-indol-2-one
CID 25060818
6,7-difluoro-3-(4-hydroxyphenyl)-3-pentyl-1H-indol-2-one
CID 25060820
3-cycloheptyl-6-fluoro-3-(4-hydroxyphenyl)-7-methyl-1H-indol-2-one
CID 25061848
(E)-3-[3-[3-(4-hydroxyphenyl)propanoylamino]-4-(3-methylbut-2-enyl)phenyl]prop-2-enoic acid
CID 135304481
N-[4-[(Z)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]acetamide
CID 44284257
(E)-3-(4-Hydroxyphenyl)-N-phenylacrylamide
CID 46907580
(E)-3-(3-hydroxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 71559766
(E)-3-(4-hydroxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 71559903
(E)-N-(2-fluorophenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 71560026

Frequently Asked Questions

What is the IUPAC name of N-[2,4-difluoro-6-[2-(4-hydroxyphenyl)ethyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[2,4-difluoro-6-[2-(4-hydroxyphenyl)ethyl]phenyl]-2-methylpropanamide (CID 44531360) is N-[2,4-difluoro-6-[2-(4-hydroxyphenyl)ethyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2,4-difluoro-6-[2-(4-hydroxyphenyl)ethyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[2,4-difluoro-6-[2-(4-hydroxyphenyl)ethyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1c(F)cc(F)cc1CCc1ccc(O)cc1.
What is the InChIKey of N-[2,4-difluoro-6-[2-(4-hydroxyphenyl)ethyl]phenyl]-2-methylpropanamide?
The InChIKey is CAVDOIFCLSHDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO2/c1-11(2)18(23)21-17-13(9-14(19)10-16(17)20)6-3-12-4-7-15(22)8-5-12/h4-5,7-11,22H,3,6H2,1-2H3,(H,21,23).
What are the key properties of N-[2,4-difluoro-6-[2-(4-hydroxyphenyl)ethyl]phenyl]-2-methylpropanamide?
N-[2,4-difluoro-6-[2-(4-hydroxyphenyl)ethyl]phenyl]-2-methylpropanamide has a molecular weight of 319.35 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-difluoro-6-[2-(4-hydroxyphenyl)ethyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 44531360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).