5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide

C22H21Cl2N3O2 — CID 2237354

IUPAC5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCN1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1
InChIInChI=1S/C22H21Cl2N3O2/c1-26-10-12-27(13-11-26)19-5-3-2-4-18(19)25-22(28)21-9-8-20(29-21)15-6-7-16(23)17(24)14-15/h2-9,14H,10-13H2,1H3,(H,25,28)
InChIKeyCBTFYKNSNWKBRO-UHFFFAOYSA-N
MW430.34 g/mol
LogP5.26
Rot. Bonds4

About 5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide

5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide (PubChem CID 2237354) has the molecular formula C22H21Cl2N3O2 and a molecular weight of 430.34 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
PubChem CID2237354
Molecular FormulaC22H21Cl2N3O2
Molecular Weight430.34 g/mol
Exact Mass429.10
IUPAC Name5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
SMILESCN1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1
InChIInChI=1S/C22H21Cl2N3O2/c1-26-10-12-27(13-11-26)19-5-3-2-4-18(19)25-22(28)21-9-8-20(29-21)15-6-7-16(23)17(24)14-15/h2-9,14H,10-13H2,1H3,(H,25,28)
InChIKeyCBTFYKNSNWKBRO-UHFFFAOYSA-N
XLogP5.26
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.34
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 17319178
5-(3,4-dichlorophenyl)-N-(2-propan-2-ylphenyl)furan-2-carboxamide
CID 23880214
5-(3-chlorophenyl)-N-(2-piperidin-1-ylphenyl)furan-2-carboxamide
CID 3656622
5-(4-chlorophenyl)-N-[2-(4-methylsulfonylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 3946424
5-(4-chlorophenyl)-N-[2-(4-methylpiperidin-1-yl)phenyl]furan-2-carboxamide
CID 5144971
5-(3-chlorophenyl)-N-[2-(4-propanoylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 22780800
N-[2-(4-benzoylpiperazin-1-yl)phenyl]-5-(3-chlorophenyl)furan-2-carboxamide
CID 17117874
5-(3,4-dichlorophenyl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 17117719
2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-5-methylsulfanylbenzamide
CID 8834278
N-(4-amino-2-methylphenyl)-5-(3,4-dichlorophenyl)furan-2-carboxamide
CID 100828257
5-(benzenesulfonylmethyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 46807132
5-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)furan-2-carboxamide
CID 878115

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The IUPAC name of 5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide (CID 2237354) is 5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The canonical SMILES for 5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide is CN1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1.
What is the InChIKey of 5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
The InChIKey is CBTFYKNSNWKBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O2/c1-26-10-12-27(13-11-26)19-5-3-2-4-18(19)25-22(28)21-9-8-20(29-21)15-6-7-16(23)17(24)14-15/h2-9,14H,10-13H2,1H3,(H,25,28).
What are the key properties of 5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide?
5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide has a molecular weight of 430.34 g/mol, XLogP of 5.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide is sourced from PubChem (CID 2237354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).