3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide

C19H14Cl2N2O3 — CID 109054062

IUPAC3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccco1)c1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H14Cl2N2O3/c20-16-7-6-14(10-17(16)21)23-19(25)13-4-1-3-12(9-13)18(24)22-11-15-5-2-8-26-15/h1-10H,11H2,(H,22,24)(H,23,25)
InChIKeyKVOFDMRPSXLMTL-UHFFFAOYSA-N
MW389.24 g/mol
LogP4.77
Rot. Bonds5

About 3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide

3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide (PubChem CID 109054062) has the molecular formula C19H14Cl2N2O3 and a molecular weight of 389.24 g/mol. Its IUPAC name is 3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
PubChem CID109054062
Molecular FormulaC19H14Cl2N2O3
Molecular Weight389.24 g/mol
Exact Mass388.04
IUPAC Name3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
SMILESO=C(NCc1ccco1)c1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C19H14Cl2N2O3/c20-16-7-6-14(10-17(16)21)23-19(25)13-4-1-3-12(9-13)18(24)22-11-15-5-2-8-26-15/h1-10H,11H2,(H,22,24)(H,23,25)
InChIKeyKVOFDMRPSXLMTL-UHFFFAOYSA-N
XLogP4.77
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.24
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-(4-acetamidophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054046
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
1-N-benzyl-3-N-(3,4-dichlorophenyl)benzene-1,3-dicarboxamide
CID 109054182
ethyl 4-[[3-(furan-2-ylmethylcarbamoyl)benzoyl]amino]benzoate
CID 109054059
2-[(3,4-dichlorophenyl)carbamoylamino]-N-(furan-2-ylmethyl)acetamide
CID 18101847
N-(3,4-dichlorophenyl)-5-(furan-2-ylmethylamino)pyridine-2-carboxamide
CID 109187803
5-N-(4-fluorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104908
5-N-(2,5-dichlorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104953
3-[[2-(3-chloro-4-methoxyanilino)acetyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 54819349
N-(furan-2-ylmethyl)-3-[[2-(furan-2-ylmethylamino)acetyl]amino]benzamide
CID 54818637
5-N-(2-chlorophenyl)-3-N-(furan-2-ylmethyl)pyridine-3,5-dicarboxamide
CID 109104909
6-N-(3-acetylphenyl)-2-N-(furan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097178

Frequently Asked Questions

What is the IUPAC name of 3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide?
The IUPAC name of 3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide (CID 109054062) is 3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide.
What is the SMILES notation for 3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide?
The canonical SMILES for 3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide is O=C(NCc1ccco1)c1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide?
The InChIKey is KVOFDMRPSXLMTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14Cl2N2O3/c20-16-7-6-14(10-17(16)21)23-19(25)13-4-1-3-12(9-13)18(24)22-11-15-5-2-8-26-15/h1-10H,11H2,(H,22,24)(H,23,25).
What are the key properties of 3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide?
3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide has a molecular weight of 389.24 g/mol, XLogP of 4.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(3,4-dichlorophenyl)-1-N-(furan-2-ylmethyl)benzene-1,3-dicarboxamide is sourced from PubChem (CID 109054062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).