N-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide

C17H17ClFNO3 — CID 109388957

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H17ClFNO3/c1-11(23-14-4-2-3-13(7-14)10-21)17(22)20-9-12-5-6-16(19)15(18)8-12/h2-8,11,21H,9-10H2,1H3,(H,20,22)
InChIKeyZYFKSZDJSVFRBL-UHFFFAOYSA-N
MW337.78 g/mol
LogP3.06
Rot. Bonds6

About N-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide

N-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide (PubChem CID 109388957) has the molecular formula C17H17ClFNO3 and a molecular weight of 337.78 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
PubChem CID109388957
Molecular FormulaC17H17ClFNO3
Molecular Weight337.78 g/mol
Exact Mass337.09
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
SMILESCC(Oc1cccc(CO)c1)C(=O)NCc1ccc(F)c(Cl)c1
InChIInChI=1S/C17H17ClFNO3/c1-11(23-14-4-2-3-13(7-14)10-21)17(22)20-9-12-5-6-16(19)15(18)8-12/h2-8,11,21H,9-10H2,1H3,(H,20,22)
InChIKeyZYFKSZDJSVFRBL-UHFFFAOYSA-N
XLogP3.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.78
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388625
(2S)-2-(4-chloro-3-methylphenoxy)-N-[(3-propan-2-yloxyphenyl)methyl]propanamide
CID 99132987
2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 43001904
(2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 26241557
2-[3-(hydroxymethyl)phenoxy]-N-(thiophen-2-ylmethyl)propanamide
CID 109388777
2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
CID 55364329
2-amino-N-[(3-chloro-4-fluorophenyl)methyl]propanamide;hydrochloride
CID 119280875
N-[(5-ethylthiophen-2-yl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388890
2-[3-(hydroxymethyl)phenoxy]-N-[(6-methyl-2-pyridinyl)methyl]propanamide
CID 109388909
(2R)-N-[(3-ethoxyphenyl)methyl]-2-(4-fluorophenoxy)propanamide
CID 28567347
N-[3-(3-fluorophenyl)propyl]-2-[3-(hydroxymethyl)phenoxy]propanamide
CID 109388998
(2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide
CID 9165332

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide (CID 109388957) is N-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide is CC(Oc1cccc(CO)c1)C(=O)NCc1ccc(F)c(Cl)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
The InChIKey is ZYFKSZDJSVFRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO3/c1-11(23-14-4-2-3-13(7-14)10-21)17(22)20-9-12-5-6-16(19)15(18)8-12/h2-8,11,21H,9-10H2,1H3,(H,20,22).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide?
N-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide has a molecular weight of 337.78 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-2-[3-(hydroxymethyl)phenoxy]propanamide is sourced from PubChem (CID 109388957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).