2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide

C17H17ClFNO4 — CID 78760166

IUPAC2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)Oc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H17ClFNO4/c1-10(24-12-4-6-14(19)13(18)8-12)17(21)20-15-9-11(22-2)5-7-16(15)23-3/h4-10H,1-3H3,(H,20,21)
InChIKeySALZQAPBSRBIRB-UHFFFAOYSA-N
MW353.78 g/mol
LogP3.90
Rot. Bonds6

About 2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide

2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide (PubChem CID 78760166) has the molecular formula C17H17ClFNO4 and a molecular weight of 353.78 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
PubChem CID78760166
Molecular FormulaC17H17ClFNO4
Molecular Weight353.78 g/mol
Exact Mass353.08
IUPAC Name2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
SMILESCOc1ccc(OC)c(NC(=O)C(C)Oc2ccc(F)c(Cl)c2)c1
InChIInChI=1S/C17H17ClFNO4/c1-10(24-12-4-6-14(19)13(18)8-12)17(21)20-15-9-11(22-2)5-7-16(15)23-3/h4-10H,1-3H3,(H,20,21)
InChIKeySALZQAPBSRBIRB-UHFFFAOYSA-N
XLogP3.90
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.78
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4943920
(2R)-2-(4-chloro-3-methylphenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 890913
2-(3-chlorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide
CID 4319209
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(7-methoxynaphthalen-2-yl)oxypropanamide
CID 7652556
N-(2,5-dimethoxyphenyl)-2-(2,4,5-trichlorophenoxy)propanamide
CID 5013709
N-(2,5-dimethoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 78762135
(2R)-N-(2,5-dimethoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 890330
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-3-methylphenoxy)propanamide
CID 7794724
N-(5-chloro-2-methoxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 42989189
N-(2,5-dimethoxyphenyl)-2-(4-iodophenoxy)propanamide
CID 17360519
(2R)-N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)propanamide
CID 7834540
methyl 4-[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]oxybenzoate
CID 17462373

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide?
The IUPAC name of 2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide (CID 78760166) is 2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide is COc1ccc(OC)c(NC(=O)C(C)Oc2ccc(F)c(Cl)c2)c1.
What is the InChIKey of 2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide?
The InChIKey is SALZQAPBSRBIRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFNO4/c1-10(24-12-4-6-14(19)13(18)8-12)17(21)20-15-9-11(22-2)5-7-16(15)23-3/h4-10H,1-3H3,(H,20,21).
What are the key properties of 2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide?
2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide has a molecular weight of 353.78 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenoxy)-N-(2,5-dimethoxyphenyl)propanamide is sourced from PubChem (CID 78760166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).