2,4-dichloro-N-[4-(furan-2-yl)-2-propanoylphenyl]benzamide

C20H15Cl2NO3 — CID 142203101

IUPAC2,4-dichloro-N-[4-(furan-2-yl)-2-propanoylphenyl]benzamide
SMILESCCC(=O)c1cc(-c2ccco2)ccc1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl2NO3/c1-2-18(24)15-10-12(19-4-3-9-26-19)5-8-17(15)23-20(25)14-7-6-13(21)11-16(14)22/h3-11H,2H2,1H3,(H,23,25)
InChIKeyBZOQHYWHCWZVSG-UHFFFAOYSA-N
MW388.25 g/mol
LogP6.10
Rot. Bonds5

About 2,4-dichloro-N-[4-(furan-2-yl)-2-propanoylphenyl]benzamide

2,4-dichloro-N-[4-(furan-2-yl)-2-propanoylphenyl]benzamide (PubChem CID 142203101) has the molecular formula C20H15Cl2NO3 and a molecular weight of 388.25 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-(furan-2-yl)-2-propanoylphenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-(furan-2-yl)-2-propanoylphenyl]benzamide
PubChem CID142203101
Molecular FormulaC20H15Cl2NO3
Molecular Weight388.25 g/mol
Exact Mass387.04
IUPAC Name2,4-dichloro-N-[4-(furan-2-yl)-2-propanoylphenyl]benzamide
SMILESCCC(=O)c1cc(-c2ccco2)ccc1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C20H15Cl2NO3/c1-2-18(24)15-10-12(19-4-3-9-26-19)5-8-17(15)23-20(25)14-7-6-13(21)11-16(14)22/h3-11H,2H2,1H3,(H,23,25)
InChIKeyBZOQHYWHCWZVSG-UHFFFAOYSA-N
XLogP6.10
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.25
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2,4-dichlorobenzoyl)amino]-5-(furan-2-yl)benzoic acid
CID 10270857
2,4-dichloro-N-[3-(furan-2-yl)phenyl]benzamide
CID 168526277
2-chloro-4-(furan-2-yl)-N-methylbenzamide
CID 168525512
2,4-dichloro-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 4938422
2-[(2,4-dichlorobenzoyl)amino]-5-(3-phenylphenyl)benzoic acid
CID 10183146
2-[(2,4-dichlorobenzoyl)amino]-5-phenylbenzoate
CID 59060344
methyl 2-chloro-5-(furan-2-yl)benzoate
CID 168524498
2,4-dichloro-N-[4-[2-(3-methylphenyl)ethoxy]-2-propanoylphenyl]benzamide
CID 142203086
N-(5-chloro-2-methylphenyl)-3-(furan-2-yl)benzamide
CID 168527887
2,4-dichloro-N-[2-chloro-5-[5-(hydroxymethyl)furan-2-yl]phenyl]benzamide
CID 28668130
2-fluoro-5-(furan-2-yl)-N-methylbenzamide
CID 168525507
2,4-dichloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 849254

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-(furan-2-yl)-2-propanoylphenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[4-(furan-2-yl)-2-propanoylphenyl]benzamide (CID 142203101) is 2,4-dichloro-N-[4-(furan-2-yl)-2-propanoylphenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[4-(furan-2-yl)-2-propanoylphenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[4-(furan-2-yl)-2-propanoylphenyl]benzamide is CCC(=O)c1cc(-c2ccco2)ccc1NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-(furan-2-yl)-2-propanoylphenyl]benzamide?
The InChIKey is BZOQHYWHCWZVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2NO3/c1-2-18(24)15-10-12(19-4-3-9-26-19)5-8-17(15)23-20(25)14-7-6-13(21)11-16(14)22/h3-11H,2H2,1H3,(H,23,25).
What are the key properties of 2,4-dichloro-N-[4-(furan-2-yl)-2-propanoylphenyl]benzamide?
2,4-dichloro-N-[4-(furan-2-yl)-2-propanoylphenyl]benzamide has a molecular weight of 388.25 g/mol, XLogP of 6.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-(furan-2-yl)-2-propanoylphenyl]benzamide is sourced from PubChem (CID 142203101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).