2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide

C15H15BrClNO2 — CID 106853109

IUPAC2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide
SMILESCC(C)C(NC(=O)c1ccoc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C15H15BrClNO2/c1-9(2)13(10-3-5-11(17)6-4-10)18-15(19)12-7-8-20-14(12)16/h3-9,13H,1-2H3,(H,18,19)
InChIKeyZEEYJDVMPOYGAM-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.82
Rot. Bonds4

About 2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide

2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide (PubChem CID 106853109) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is 2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide
PubChem CID106853109
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC Name2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide
SMILESCC(C)C(NC(=O)c1ccoc1Br)c1ccc(Cl)cc1
InChIInChI=1S/C15H15BrClNO2/c1-9(2)13(10-3-5-11(17)6-4-10)18-15(19)12-7-8-20-14(12)16/h3-9,13H,1-2H3,(H,18,19)
InChIKeyZEEYJDVMPOYGAM-UHFFFAOYSA-N
XLogP4.82
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
CID 16603694
2-bromo-N-[1-(2,4-dichlorophenyl)ethyl]furan-3-carboxamide
CID 106852526
(2R)-2-[(2-bromofuran-3-carbonyl)amino]-3-methylbutanoic acid
CID 106851080
2-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-3-carboxamide
CID 106856169
4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704007
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
2-bromo-N-(1-bromopropan-2-yl)furan-3-carboxamide
CID 106856150
2-bromo-N-[(2R)-1-hydroxypropan-2-yl]furan-3-carboxamide
CID 106854999
2-bromo-N-(5-chloropentan-2-yl)furan-3-carboxamide
CID 106856137
2-bromo-N-[1-[4-(carbamoylamino)phenyl]ethyl]furan-3-carboxamide
CID 106852997
2-bromo-N-[1-(4-cyanophenyl)ethyl]furan-3-carboxamide
CID 106852686
2,5-dichloro-N-[(1S)-1-(4-methoxyphenyl)-2-methylpropyl]benzamide
CID 27830567

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide (CID 106853109) is 2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide is CC(C)C(NC(=O)c1ccoc1Br)c1ccc(Cl)cc1.
What is the InChIKey of 2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide?
The InChIKey is ZEEYJDVMPOYGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c1-9(2)13(10-3-5-11(17)6-4-10)18-15(19)12-7-8-20-14(12)16/h3-9,13H,1-2H3,(H,18,19).
What are the key properties of 2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide?
2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide has a molecular weight of 356.65 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide is sourced from PubChem (CID 106853109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).