5-chloro-3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide

C22H24ClN3O2 — CID 121238583

IUPAC5-chloro-3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)Nc3ccccc3N3CCN(C)CC3)c(C)c2cc1Cl
InChIInChI=1S/C22H24ClN3O2/c1-14-12-20-16(13-17(14)23)15(2)21(28-20)22(27)24-18-6-4-5-7-19(18)26-10-8-25(3)9-11-26/h4-7,12-13H,8-11H2,1-3H3,(H,24,27)
InChIKeyNVIBBOALCHMUHQ-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.71
Rot. Bonds3

About 5-chloro-3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide

5-chloro-3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 121238583) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 5-chloro-3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-chloro-3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID121238583
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name5-chloro-3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1cc2oc(C(=O)Nc3ccccc3N3CCN(C)CC3)c(C)c2cc1Cl
InChIInChI=1S/C22H24ClN3O2/c1-14-12-20-16(13-17(14)23)15(2)21(28-20)22(27)24-18-6-4-5-7-19(18)26-10-8-25(3)9-11-26/h4-7,12-13H,8-11H2,1-3H3,(H,24,27)
InChIKeyNVIBBOALCHMUHQ-UHFFFAOYSA-N
XLogP4.71
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-chloro-3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-3,6-dimethyl-N-(2-pyrazol-1-ylphenyl)-1-benzofuran-2-carboxamide
CID 118984810
3-methyl-N-[2-(4-methylpiperazin-1-yl)-5-morpholin-4-ylsulfonylphenyl]-1-benzofuran-2-carboxamide
CID 4968359
3,5-dichloro-2-iodo-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 16557452
5-(3,4-dichlorophenyl)-N-[2-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide
CID 2237354
2-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-5-methylsulfanylbenzamide
CID 8834278
5-bromo-3-methyl-N-[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide
CID 39727003
3-chloro-4-methyl-N-(2-morpholin-4-ylphenyl)benzamide
CID 898180
3,6-dichloro-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 3682126
6-chloro-N-[2-(4-methylpiperazin-1-yl)phenyl]pyrazine-2-carboxamide
CID 57327107
5-methyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-4-nitrothiophene-2-carboxamide
CID 31826641
2-methoxy-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 935026
3-[(2-chlorobenzoyl)amino]-4-(4-methylpiperazin-1-yl)benzoic acid
CID 46285198

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 5-chloro-3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide (CID 121238583) is 5-chloro-3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-chloro-3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-chloro-3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide is Cc1cc2oc(C(=O)Nc3ccccc3N3CCN(C)CC3)c(C)c2cc1Cl.
What is the InChIKey of 5-chloro-3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is NVIBBOALCHMUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-14-12-20-16(13-17(14)23)15(2)21(28-20)22(27)24-18-6-4-5-7-19(18)26-10-8-25(3)9-11-26/h4-7,12-13H,8-11H2,1-3H3,(H,24,27).
What are the key properties of 5-chloro-3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide?
5-chloro-3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 397.91 g/mol, XLogP of 4.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3,6-dimethyl-N-[2-(4-methylpiperazin-1-yl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 121238583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).