N-ethyl-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide

C18H20FNO2 — CID 56721896

IUPACN-ethyl-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
SMILESCCN(Cc1ccc(F)cc1)C(=O)CCc1ccc(O)cc1
InChIInChI=1S/C18H20FNO2/c1-2-20(13-15-3-8-16(19)9-4-15)18(22)12-7-14-5-10-17(21)11-6-14/h3-6,8-11,21H,2,7,12-13H2,1H3
InChIKeyGVXLZGOCPYWOGD-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.51
Rot. Bonds6

About N-ethyl-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide

N-ethyl-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide (PubChem CID 56721896) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is N-ethyl-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide.

Molecular Properties

Compound NameN-ethyl-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
PubChem CID56721896
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC NameN-ethyl-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
SMILESCCN(Cc1ccc(F)cc1)C(=O)CCc1ccc(O)cc1
InChIInChI=1S/C18H20FNO2/c1-2-20(13-15-3-8-16(19)9-4-15)18(22)12-7-14-5-10-17(21)11-6-14/h3-6,8-11,21H,2,7,12-13H2,1H3
InChIKeyGVXLZGOCPYWOGD-UHFFFAOYSA-N
XLogP3.51
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-(4-Hydroxyphenyl)ethyl)benzamide
CID 577614
N-(4-hydroxybenzyl)icosa-5,8,11,14-tetraenamide
CID 10811495
(3S,6S)-3,6-Bis-(4-Hydroxy-Benzyl)-1,4-Dimethyl-Piperazine-2,5-Dione
CID 10473315
3-(4-Hydroxy-phenyl)-N-(4-phenyl-butyl)-propionamide
CID 10661731
(S)-1-(4-(2,5-difluorophenyl)-2-(3-hydroxyphenyl)-2H-pyrrol-1(5H)-yl)-2,2-dimethylpropan-1-one
CID 44409718
3-(4-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzamide
CID 56933900
3-(4-hydroxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 387940
N-(1-Benzyl-piperidin-4-yl)-2-(4-hydroxy-phenyl)-acetamide
CID 10805927
H-Tyr-Ala-Gly-NHBn
CID 44269095
N'-hydroxy-N-[(2S)-3-(4-hydroxyphenyl)-1-oxo-1-[[(1S)-1-phenylethyl]amino]propan-2-yl]oxamide
CID 44384980
(E)-7,8-bis(4-hydroxyphenyl)-N-methyl-N-(3-pentylsulfanylpropyl)dec-7-enamide
CID 44394145
2-Fluoro-4-[2-[2-phenylethyl(propyl)amino]ethyl]phenol;hydrobromide
CID 45264666

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide?
The IUPAC name of N-ethyl-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide (CID 56721896) is N-ethyl-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide.
What is the SMILES notation for N-ethyl-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide?
The canonical SMILES for N-ethyl-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide is CCN(Cc1ccc(F)cc1)C(=O)CCc1ccc(O)cc1.
What is the InChIKey of N-ethyl-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide?
The InChIKey is GVXLZGOCPYWOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-2-20(13-15-3-8-16(19)9-4-15)18(22)12-7-14-5-10-17(21)11-6-14/h3-6,8-11,21H,2,7,12-13H2,1H3.
What are the key properties of N-ethyl-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide?
N-ethyl-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide has a molecular weight of 301.36 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide is sourced from PubChem (CID 56721896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).