N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide

C15H15Cl2NO2 — CID 4876390

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccc(Cl)cc2Cl)c(C)o1
InChIInChI=1S/C15H15Cl2NO2/c1-8-6-13(10(3)20-8)15(19)18-9(2)12-5-4-11(16)7-14(12)17/h4-7,9H,1-3H3,(H,18,19)
InChIKeyNRZHRTCFWBYXFR-UHFFFAOYSA-N
MW312.20 g/mol
LogP4.69
Rot. Bonds3

About N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide

N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 4876390) has the molecular formula C15H15Cl2NO2 and a molecular weight of 312.20 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID4876390
Molecular FormulaC15H15Cl2NO2
Molecular Weight312.20 g/mol
Exact Mass311.05
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC(C)c2ccc(Cl)cc2Cl)c(C)o1
InChIInChI=1S/C15H15Cl2NO2/c1-8-6-13(10(3)20-8)15(19)18-9(2)12-5-4-11(16)7-14(12)17/h4-7,9H,1-3H3,(H,18,19)
InChIKeyNRZHRTCFWBYXFR-UHFFFAOYSA-N
XLogP4.69
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide
CID 106852526
N-[1-(2-aminophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 43297842
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide
CID 7986626
2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 114370055
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 8503225
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 47168017
4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide
CID 9441513
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide
CID 43079074
2-acetamido-N-[1-(2,4-dichlorophenyl)ethyl]propanamide
CID 78772971
2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 43235797
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 43101350
N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 40635729

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide (CID 4876390) is N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC(C)c2ccc(Cl)cc2Cl)c(C)o1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is NRZHRTCFWBYXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2NO2/c1-8-6-13(10(3)20-8)15(19)18-9(2)12-5-4-11(16)7-14(12)17/h4-7,9H,1-3H3,(H,18,19).
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide?
N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 312.20 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 4876390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).