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

C15H15BrClNO2 — CID 16603694

IUPAC5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccc(Br)o1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15BrClNO2/c1-9(2)14(10-3-5-11(17)6-4-10)18-15(19)12-7-8-13(16)20-12/h3-9,14H,1-2H3,(H,18,19)
InChIKeyNTPPHWRZMUYKHU-UHFFFAOYSA-N
MW356.65 g/mol
LogP4.82
Rot. Bonds4

About 5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide

5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide (PubChem CID 16603694) has the molecular formula C15H15BrClNO2 and a molecular weight of 356.65 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
PubChem CID16603694
Molecular FormulaC15H15BrClNO2
Molecular Weight356.65 g/mol
Exact Mass355.00
IUPAC Name5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
SMILESCC(C)C(NC(=O)c1ccc(Br)o1)c1ccc(Cl)cc1
InChIInChI=1S/C15H15BrClNO2/c1-9(2)14(10-3-5-11(17)6-4-10)18-15(19)12-7-8-13(16)20-12/h3-9,14H,1-2H3,(H,18,19)
InChIKeyNTPPHWRZMUYKHU-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

2-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-3-carboxamide
CID 106853109
5-(benzenesulfonylmethyl)-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide
CID 46513558
5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide
CID 63524768
5-bromo-N-(1-bromo-3-methylbutan-2-yl)furan-2-carboxamide
CID 114316037
4-amino-N-[1-(4-chlorophenyl)-2-methylpropyl]benzamide
CID 43704007
5-bromo-N-[(E)-1-(4-chlorophenyl)propylideneamino]furan-2-carboxamide
CID 5334242
4-chloro-N-[(1S)-2-methyl-1-phenylpropyl]benzamide
CID 9050596
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
methyl (2S)-2-[(5-bromofuran-2-carbonyl)amino]propanoate
CID 47337332
5-bromo-N-(4-hydroxybutan-2-yl)furan-2-carboxamide
CID 81049675
5-bromo-N-(1-cyanoethyl)furan-2-carboxamide
CID 61119457
5-bromo-N-(1-hydroxy-4-methylpentan-3-yl)furan-2-carboxamide
CID 103750870

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide (CID 16603694) is 5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide is CC(C)C(NC(=O)c1ccc(Br)o1)c1ccc(Cl)cc1.
What is the InChIKey of 5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide?
The InChIKey is NTPPHWRZMUYKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrClNO2/c1-9(2)14(10-3-5-11(17)6-4-10)18-15(19)12-7-8-13(16)20-12/h3-9,14H,1-2H3,(H,18,19).
What are the key properties of 5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide?
5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-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 5-bromo-N-[1-(4-chlorophenyl)-2-methylpropyl]furan-2-carboxamide is sourced from PubChem (CID 16603694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).