N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide

C20H18ClNO2 — CID 22587391

IUPACN-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C20H18ClNO2/c1-14-17(21)8-5-9-18(14)22-20(23)13-11-16-10-12-19(24-16)15-6-3-2-4-7-15/h2-10,12H,11,13H2,1H3,(H,22,23)
InChIKeyWOJRFJXXDGVRFH-UHFFFAOYSA-N
MW339.82 g/mol
LogP5.48
Rot. Bonds5

About N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide

N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide (PubChem CID 22587391) has the molecular formula C20H18ClNO2 and a molecular weight of 339.82 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide
PubChem CID22587391
Molecular FormulaC20H18ClNO2
Molecular Weight339.82 g/mol
Exact Mass339.10
IUPAC NameN-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C20H18ClNO2/c1-14-17(21)8-5-9-18(14)22-20(23)13-11-16-10-12-19(24-16)15-6-3-2-4-7-15/h2-10,12H,11,13H2,1H3,(H,22,23)
InChIKeyWOJRFJXXDGVRFH-UHFFFAOYSA-N
XLogP5.48
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.82
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-hydroxy-3-[3-(5-phenylfuran-2-yl)propanoylamino]benzoate
CID 56576384
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(2-methyl-5-methylsulfonylphenyl)-3-(5-phenylfuran-2-yl)propanamide
CID 26811818
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098
N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide
CID 51149871
6-(3-chloro-2-methylanilino)-6-oxohexanoic acid
CID 43529460
N-(3-chloro-2-methylphenyl)-3-pyridin-4-ylpropanamide
CID 110468468
N-(3-chloro-2-methylphenyl)-3-(3-chlorophenyl)propanamide
CID 1407392
3-[3-(3-chloro-2-methylanilino)-3-oxopropyl]sulfanyl-N-(3-chloro-2-methylphenyl)propanamide
CID 2168392
N-(2-chlorophenyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16590370
3-chloro-N'-[3-(5-phenylfuran-2-yl)propanoyl]benzohydrazide
CID 9475645

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide (CID 22587391) is N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide is Cc1c(Cl)cccc1NC(=O)CCc1ccc(-c2ccccc2)o1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide?
The InChIKey is WOJRFJXXDGVRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClNO2/c1-14-17(21)8-5-9-18(14)22-20(23)13-11-16-10-12-19(24-16)15-6-3-2-4-7-15/h2-10,12H,11,13H2,1H3,(H,22,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide?
N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide has a molecular weight of 339.82 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-3-(5-phenylfuran-2-yl)propanamide is sourced from PubChem (CID 22587391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).