2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide

C13H10BrCl2NO2 — CID 106852526

IUPAC2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10BrCl2NO2/c1-7(9-3-2-8(15)6-11(9)16)17-13(18)10-4-5-19-12(10)14/h2-7H,1H3,(H,17,18)
InChIKeyKZKRKQYARXPWOX-UHFFFAOYSA-N
MW363.04 g/mol
LogP4.84
Rot. Bonds3

About 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide

2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide (PubChem CID 106852526) has the molecular formula C13H10BrCl2NO2 and a molecular weight of 363.04 g/mol. Its IUPAC name is 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide
PubChem CID106852526
Molecular FormulaC13H10BrCl2NO2
Molecular Weight363.04 g/mol
Exact Mass360.93
IUPAC Name2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1Br)c1ccc(Cl)cc1Cl
InChIInChI=1S/C13H10BrCl2NO2/c1-7(9-3-2-8(15)6-11(9)16)17-13(18)10-4-5-19-12(10)14/h2-7H,1H3,(H,17,18)
InChIKeyKZKRKQYARXPWOX-UHFFFAOYSA-N
XLogP4.84
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.04
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dibromo-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 114370055
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]-4-fluorobenzamide
CID 43079074
2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide
CID 106853109
N-[1-(2,4-dichlorophenyl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 4876390
5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]thiophene-2-carboxamide
CID 60628969
N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-2,4-difluorobenzamide
CID 7986626
2-amino-5-bromo-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 63500588
4-amino-N-[1-(2,4-dichlorophenyl)ethyl]benzamide
CID 43101350
2,6-dichloro-N-[1-(2,4-dichlorophenyl)ethyl]pyridine-4-carboxamide
CID 43235797
4-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-2-nitrobenzamide
CID 9441513
5,6-dichloro-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]pyridine-3-carboxamide
CID 7941890
(2S)-2-chloro-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]propanamide
CID 2118112

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide (CID 106852526) is 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide is CC(NC(=O)c1ccoc1Br)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide?
The InChIKey is KZKRKQYARXPWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO2/c1-7(9-3-2-8(15)6-11(9)16)17-13(18)10-4-5-19-12(10)14/h2-7H,1H3,(H,17,18).
What are the key properties of 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide?
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide has a molecular weight of 363.04 g/mol, XLogP of 4.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide is sourced from PubChem (CID 106852526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).