5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide

C16H18ClN3O2 — CID 9075065

IUPAC5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
SMILESCN1CCN(NC(=O)c2ccc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C16H18ClN3O2/c1-19-8-10-20(11-9-19)18-16(21)15-7-6-14(22-15)12-4-2-3-5-13(12)17/h2-7H,8-11H2,1H3,(H,18,21)
InChIKeyKYGUCUZAPRLGLA-UHFFFAOYSA-N
MW319.79 g/mol
LogP2.49
Rot. Bonds3

About 5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide

5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide (PubChem CID 9075065) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
PubChem CID9075065
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
SMILESCN1CCN(NC(=O)c2ccc(-c3ccccc3Cl)o2)CC1
InChIInChI=1S/C16H18ClN3O2/c1-19-8-10-20(11-9-19)18-16(21)15-7-6-14(22-15)12-4-2-3-5-13(12)17/h2-7H,8-11H2,1H3,(H,18,21)
InChIKeyKYGUCUZAPRLGLA-UHFFFAOYSA-N
XLogP2.49
TPSA48.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chloro-4-nitrophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide
CID 9075068
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
5-(2-chlorophenyl)furan-2-carboxylic acid
CID 784625
1-[4-[5-(2-chlorophenyl)furan-2-carbothioyl]piperazin-1-yl]ethanone
CID 5069748
5-(2-chlorophenyl)-N-propylfuran-2-carboxamide
CID 5262410
(2R)-2-[[5-(2-chlorophenyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119368356
5-(2-chlorophenyl)-N'-(cyclohexanecarbonyl)furan-2-carbohydrazide
CID 9086350
5-(2-chlorophenyl)-N-(2-hydroxyethyl)furan-2-carboxamide
CID 78800704
5-(2-chlorophenyl)-N-(1-phenylethyl)furan-2-carboxamide
CID 5262420
5-(2-chlorophenyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-2-carboxamide
CID 39959418
1-[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 134021600
5-(2-chlorophenyl)-N-[2-(ethylamino)ethyl]furan-2-carboxamide
CID 119505945

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide (CID 9075065) is 5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide is CN1CCN(NC(=O)c2ccc(-c3ccccc3Cl)o2)CC1.
What is the InChIKey of 5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide?
The InChIKey is KYGUCUZAPRLGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c1-19-8-10-20(11-9-19)18-16(21)15-7-6-14(22-15)12-4-2-3-5-13(12)17/h2-7H,8-11H2,1H3,(H,18,21).
What are the key properties of 5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide?
5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide has a molecular weight of 319.79 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-(4-methylpiperazin-1-yl)furan-2-carboxamide is sourced from PubChem (CID 9075065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).