2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide

C16H13Cl2F2NO3 — CID 42989366

IUPAC2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H13Cl2F2NO3/c1-9(23-14-7-2-10(17)8-13(14)18)15(22)21-11-3-5-12(6-4-11)24-16(19)20/h2-9,16H,1H3,(H,21,22)
InChIKeySMGVDZXYBNIMIL-UHFFFAOYSA-N
MW376.19 g/mol
LogP5.00
Rot. Bonds6

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

2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide (PubChem CID 42989366) has the molecular formula C16H13Cl2F2NO3 and a molecular weight of 376.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
PubChem CID42989366
Molecular FormulaC16H13Cl2F2NO3
Molecular Weight376.19 g/mol
Exact Mass375.02
IUPAC Name2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H13Cl2F2NO3/c1-9(23-14-7-2-10(17)8-13(14)18)15(22)21-11-3-5-12(6-4-11)24-16(19)20/h2-9,16H,1H3,(H,21,22)
InChIKeySMGVDZXYBNIMIL-UHFFFAOYSA-N
XLogP5.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.19
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N-(4-methoxyphenyl)propanamide
CID 697237
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
2-(2-chlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide
CID 42990289
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599
2,4-dichloro-N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]benzamide
CID 42561530
methyl 4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]benzoate
CID 1010111
(2R)-N-[4-(carbamothioylamino)phenyl]-2-(2,4-dichlorophenoxy)propanamide
CID 40652778
methyl 2-[4-[2-(2,4-dichlorophenoxy)propanoylamino]phenoxy]acetate
CID 55709148
(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467
(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide (CID 42989366) is 2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide?
The InChIKey is SMGVDZXYBNIMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2F2NO3/c1-9(23-14-7-2-10(17)8-13(14)18)15(22)21-11-3-5-12(6-4-11)24-16(19)20/h2-9,16H,1H3,(H,21,22).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide?
2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide has a molecular weight of 376.19 g/mol, XLogP of 5.00, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[4-(difluoromethoxy)phenyl]propanamide is sourced from PubChem (CID 42989366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).