5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide

C18H22ClNO2 — CID 16560702

IUPAC5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H22ClNO2/c1-12(2)8-9-13(3)20-18(21)17-11-10-16(22-17)14-6-4-5-7-15(14)19/h4-7,10-13H,8-9H2,1-3H3,(H,20,21)
InChIKeyWNGLEEOYASWDQI-UHFFFAOYSA-N
MW319.83 g/mol
LogP5.15
Rot. Bonds6

About 5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide

5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide (PubChem CID 16560702) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide
PubChem CID16560702
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC Name5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide
SMILESCC(C)CCC(C)NC(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H22ClNO2/c1-12(2)8-9-13(3)20-18(21)17-11-10-16(22-17)14-6-4-5-7-15(14)19/h4-7,10-13H,8-9H2,1-3H3,(H,20,21)
InChIKeyWNGLEEOYASWDQI-UHFFFAOYSA-N
XLogP5.15
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.83
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-chlorophenyl)-N-(1-methoxypropan-2-yl)furan-2-carboxamide
CID 18161050
5-(2-chlorophenyl)-N-(1-phenylethyl)furan-2-carboxamide
CID 5262420
(2R)-2-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119368356
5-(2-chlorophenyl)-N-[2-(methylamino)propyl]furan-2-carboxamide;hydrochloride
CID 120827077
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
5-(2-chlorophenyl)-N-[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]furan-2-carboxamide
CID 97137892
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
2-chloro-N-(5-methylhexan-2-yl)benzamide
CID 78789541
5-(2-chlorophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 78800704
5-bromo-N-(5-methylhexan-2-yl)furan-2-carboxamide
CID 55028916
5-(2-chlorophenyl)-N-[2-(ethylamino)ethyl]furan-2-carboxamide
CID 119505945
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide (CID 16560702) is 5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide is CC(C)CCC(C)NC(=O)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide?
The InChIKey is WNGLEEOYASWDQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO2/c1-12(2)8-9-13(3)20-18(21)17-11-10-16(22-17)14-6-4-5-7-15(14)19/h4-7,10-13H,8-9H2,1-3H3,(H,20,21).
What are the key properties of 5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide?
5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide has a molecular weight of 319.83 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(5-methylhexan-2-yl)furan-2-carboxamide is sourced from PubChem (CID 16560702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).