5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide

C18H15ClN2O2 — CID 86978030

IUPAC5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H15ClN2O2/c1-21(12-13-5-4-10-20-11-13)18(22)17-9-8-16(23-17)14-6-2-3-7-15(14)19/h2-11H,12H2,1H3
InChIKeyGCQHBWCJDBQBHS-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.27
Rot. Bonds4

About 5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide

5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide (PubChem CID 86978030) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
PubChem CID86978030
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
SMILESCN(Cc1cccnc1)C(=O)c1ccc(-c2ccccc2Cl)o1
InChIInChI=1S/C18H15ClN2O2/c1-21(12-13-5-4-10-20-11-13)18(22)17-9-8-16(23-17)14-6-2-3-7-15(14)19/h2-11H,12H2,1H3
InChIKeyGCQHBWCJDBQBHS-UHFFFAOYSA-N
XLogP4.27
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[5-(2-chlorophenyl)furan-2-carbonyl]-methylamino]-2-pyridin-3-ylacetic acid
CID 72877931
5-[(2-methoxyphenoxy)methyl]-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 87002082
N-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide
CID 119658454
5-(2-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylfuran-2-carboxamide
CID 109388273
5-(2-chlorophenyl)-N-ethylfuran-2-carboxamide
CID 51188744
N-[2-(3-chlorophenoxy)ethyl]-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide
CID 18277180
2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-(pyridin-3-ylmethyl)acetamide
CID 86907201
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)acetamide
CID 110724689
3-chloro-4-iodo-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 103734687
5-(2-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methylfuran-2-carboxamide
CID 9085023
4-(methoxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzamide
CID 86977207
5-(2-chlorophenyl)-N-(2-pyridin-4-ylethyl)furan-2-carboxamide
CID 70709024

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The IUPAC name of 5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide (CID 86978030) is 5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide.
What is the SMILES notation for 5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The canonical SMILES for 5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide is CN(Cc1cccnc1)C(=O)c1ccc(-c2ccccc2Cl)o1.
What is the InChIKey of 5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
The InChIKey is GCQHBWCJDBQBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c1-21(12-13-5-4-10-20-11-13)18(22)17-9-8-16(23-17)14-6-2-3-7-15(14)19/h2-11H,12H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide?
5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 4.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-methyl-N-(pyridin-3-ylmethyl)furan-2-carboxamide is sourced from PubChem (CID 86978030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).