N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenoxy)propanamide

C20H16Cl3NO3 — CID 54858994

IUPACN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H16Cl3NO3/c1-12(26-19-8-6-15(22)10-17(19)23)20(25)24-11-16-7-9-18(27-16)13-2-4-14(21)5-3-13/h2-10,12H,11H2,1H3,(H,24,25)
InChIKeyOAQMQAQMNWAZGN-UHFFFAOYSA-N
MW424.71 g/mol
LogP5.99
Rot. Bonds6

About N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenoxy)propanamide

N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenoxy)propanamide (PubChem CID 54858994) has the molecular formula C20H16Cl3NO3 and a molecular weight of 424.71 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenoxy)propanamide.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenoxy)propanamide
PubChem CID54858994
Molecular FormulaC20H16Cl3NO3
Molecular Weight424.71 g/mol
Exact Mass423.02
IUPAC NameN-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenoxy)propanamide
SMILESCC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C20H16Cl3NO3/c1-12(26-19-8-6-15(22)10-17(19)23)20(25)24-11-16-7-9-18(27-16)13-2-4-14(21)5-3-13/h2-10,12H,11H2,1H3,(H,24,25)
InChIKeyOAQMQAQMNWAZGN-UHFFFAOYSA-N
XLogP5.99
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.71
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenoxy)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

(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
(2R)-2-(2,4-dichlorophenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 8870855
2-(2,4-dichlorophenoxy)-N-[(3,4-dihydroxyphenyl)methyl]propanamide
CID 70843494
(2R)-2-(2,4-dichlorophenoxy)-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 8874789
3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66165822
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-methylbutyl]propanamide
CID 2291416
4-[2-(2,4-dichlorophenoxy)propanoylamino]butanoic acid
CID 43239301
(2S)-N-[(Z)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-2-[[(2R)-2-(2,4-dichlorophenoxy)propanoyl]amino]-4-methylpentanamide
CID 126019958
2-(2,4-dichlorophenoxy)-N-[[4-(methylsulfonylmethyl)phenyl]methyl]propanamide
CID 60535283
2-(2,4-dichlorophenoxy)-N-dodecylpropanamide
CID 4582803
2-(2,4-dichlorophenoxy)-N-nonylpropanamide
CID 4130170
(2R)-2-(2,4-dichlorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 881059

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenoxy)propanamide?
The IUPAC name of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenoxy)propanamide (CID 54858994) is N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenoxy)propanamide.
What is the SMILES notation for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenoxy)propanamide?
The canonical SMILES for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenoxy)propanamide is CC(Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenoxy)propanamide?
The InChIKey is OAQMQAQMNWAZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl3NO3/c1-12(26-19-8-6-15(22)10-17(19)23)20(25)24-11-16-7-9-18(27-16)13-2-4-14(21)5-3-13/h2-10,12H,11H2,1H3,(H,24,25).
What are the key properties of N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenoxy)propanamide?
N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenoxy)propanamide has a molecular weight of 424.71 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)furan-2-yl]methyl]-2-(2,4-dichlorophenoxy)propanamide is sourced from PubChem (CID 54858994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).