2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide

C16H14ClF2NO3 — CID 42990289

IUPAC2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14ClF2NO3/c1-10(22-14-5-3-2-4-13(14)17)15(21)20-11-6-8-12(9-7-11)23-16(18)19/h2-10,16H,1H3,(H,20,21)
InChIKeyAGQZONGNXBCBHE-UHFFFAOYSA-N
MW341.74 g/mol
LogP4.35
Rot. Bonds6

About 2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide

2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide (PubChem CID 42990289) has the molecular formula C16H14ClF2NO3 and a molecular weight of 341.74 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
PubChem CID42990289
Molecular FormulaC16H14ClF2NO3
Molecular Weight341.74 g/mol
Exact Mass341.06
IUPAC Name2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H14ClF2NO3/c1-10(22-14-5-3-2-4-13(14)17)15(21)20-11-6-8-12(9-7-11)23-16(18)19/h2-10,16H,1H3,(H,20,21)
InChIKeyAGQZONGNXBCBHE-UHFFFAOYSA-N
XLogP4.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.74
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenoxy)-N-(4-propan-2-yloxyphenyl)propanamide
CID 17340245
2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42989366
2-(2-bromophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 84603771
(2S)-2-(2-chlorophenoxy)-N-[4-(2-methylpropoxy)phenyl]propanamide
CID 8757745
(2S)-2-(2-chlorophenoxy)-N-(3,5-dichlorophenyl)propanamide
CID 2631906
2-(2-chlorophenoxy)-N-(4-cyclopentyloxyphenyl)propanamide
CID 132654197
methyl 3-[4-[2-(2-chlorophenoxy)propanoylamino]anilino]-3-oxopropanoate
CID 43887896
(2R)-2-(2-chlorophenoxy)-N-(4-sulfamoylphenyl)propanamide
CID 2168216
2-(2-chlorophenoxy)-N-(3-propan-2-yloxyphenyl)propanamide
CID 17154741
(2R)-2-(2-chlorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7816091
2-(2-chlorophenoxy)-N-[4-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 43915055
(2S)-2-(2-chlorophenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 7816093

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide (CID 42990289) is 2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide is CC(Oc1ccccc1Cl)C(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide?
The InChIKey is AGQZONGNXBCBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF2NO3/c1-10(22-14-5-3-2-4-13(14)17)15(21)20-11-6-8-12(9-7-11)23-16(18)19/h2-10,16H,1H3,(H,20,21).
What are the key properties of 2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide?
2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide has a molecular weight of 341.74 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 42990289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).