2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide

C16H17ClN2O2 — CID 106685905

IUPAC2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)c1ccoc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-11-10-12(19-7-2-3-8-19)4-5-14(11)18-16(20)13-6-9-21-15(13)17/h4-6,9-10H,2-3,7-8H2,1H3,(H,18,20)
InChIKeyRIHJLXUCPIRTOM-UHFFFAOYSA-N
MW304.78 g/mol
LogP4.09
Rot. Bonds3

About 2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide

2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide (PubChem CID 106685905) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
PubChem CID106685905
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
SMILESCc1cc(N2CCCC2)ccc1NC(=O)c1ccoc1Cl
InChIInChI=1S/C16H17ClN2O2/c1-11-10-12(19-7-2-3-8-19)4-5-14(11)18-16(20)13-6-9-21-15(13)17/h4-6,9-10H,2-3,7-8H2,1H3,(H,18,20)
InChIKeyRIHJLXUCPIRTOM-UHFFFAOYSA-N
XLogP4.09
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]furan-3-carboxamide
CID 18127981
2,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide
CID 42038603
1,5-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazole-3-carboxamide
CID 78904439
4-methyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)benzamide
CID 42157583
2,5-dichloro-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 36559242
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 17482365
2-chloro-N-(4-ethoxy-2-methylphenyl)furan-3-carboxamide
CID 106685543
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-2-nitrobenzamide
CID 42157070
6-(furan-2-yl)-1,3-dimethyl-N-(2-methyl-4-pyrrolidin-1-ylphenyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 18281449
N-(2-methyl-4-pyrrolidin-1-ylphenyl)-1,3-benzodioxole-5-carboxamide
CID 42157747
5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109196864
3-(cyclopropanecarbonylamino)-N-(2-methyl-4-pyrrolidin-1-ylphenyl)naphthalene-2-carboxamide
CID 41399571

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide?
The IUPAC name of 2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide (CID 106685905) is 2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide?
The canonical SMILES for 2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide is Cc1cc(N2CCCC2)ccc1NC(=O)c1ccoc1Cl.
What is the InChIKey of 2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide?
The InChIKey is RIHJLXUCPIRTOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c1-11-10-12(19-7-2-3-8-19)4-5-14(11)18-16(20)13-6-9-21-15(13)17/h4-6,9-10H,2-3,7-8H2,1H3,(H,18,20).
What are the key properties of 2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide?
2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-methyl-4-pyrrolidin-1-ylphenyl)furan-3-carboxamide is sourced from PubChem (CID 106685905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).