2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide

C17H16ClF2NO3 — CID 55364329

IUPAC2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H16ClF2NO3/c1-11(23-15-4-2-3-13(18)9-15)16(22)21-10-12-5-7-14(8-6-12)24-17(19)20/h2-9,11,17H,10H2,1H3,(H,21,22)
InChIKeyKRPISZKSYPPCLL-UHFFFAOYSA-N
MW355.77 g/mol
LogP4.03
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide

2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide (PubChem CID 55364329) has the molecular formula C17H16ClF2NO3 and a molecular weight of 355.77 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
PubChem CID55364329
Molecular FormulaC17H16ClF2NO3
Molecular Weight355.77 g/mol
Exact Mass355.08
IUPAC Name2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide
SMILESCC(Oc1cccc(Cl)c1)C(=O)NCc1ccc(OC(F)F)cc1
InChIInChI=1S/C17H16ClF2NO3/c1-11(23-15-4-2-3-13(18)9-15)16(22)21-10-12-5-7-14(8-6-12)24-17(19)20/h2-9,11,17H,10H2,1H3,(H,21,22)
InChIKeyKRPISZKSYPPCLL-UHFFFAOYSA-N
XLogP4.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.77
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide
CID 51332873
4-[[2-(3-chlorophenoxy)propanoylamino]methyl]-N,N-dimethylbenzamide
CID 46632597
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
(2R)-2-(3-chlorophenoxy)-N-[(4-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 28575686
(2R)-2-(4-bromophenoxy)-N-[(3-chlorophenyl)methyl]propanamide
CID 9165332
2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 43001904
(2S)-2-(3-chlorophenoxy)-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 26241557
(2S)-2-(3-chlorophenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 92675494
(2R)-2-(3-chlorophenoxy)-N-[(4-piperidin-1-ylphenyl)methyl]propanamide
CID 92675493
2-(3-chlorophenoxy)-N-[[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]propanamide
CID 55728053
2-(3-chlorophenoxy)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]propanamide
CID 56551881
(2R)-2-(3-chlorophenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 41261490

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide (CID 55364329) is 2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide is CC(Oc1cccc(Cl)c1)C(=O)NCc1ccc(OC(F)F)cc1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide?
The InChIKey is KRPISZKSYPPCLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClF2NO3/c1-11(23-15-4-2-3-13(18)9-15)16(22)21-10-12-5-7-14(8-6-12)24-17(19)20/h2-9,11,17H,10H2,1H3,(H,21,22).
What are the key properties of 2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide?
2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide has a molecular weight of 355.77 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[[4-(difluoromethoxy)phenyl]methyl]propanamide is sourced from PubChem (CID 55364329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).