N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

C16H15ClN2O2 — CID 86925206

IUPACN-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCN(Cc1ccc(Cl)nc1)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H15ClN2O2/c1-19(10-11-2-5-15(17)18-9-11)16(20)13-3-4-14-12(8-13)6-7-21-14/h2-5,8-9H,6-7,10H2,1H3
InChIKeyMTBVAAYVVJFVFK-UHFFFAOYSA-N
MW302.76 g/mol
LogP2.94
Rot. Bonds3

About N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide

N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 86925206) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID86925206
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC NameN-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCN(Cc1ccc(Cl)nc1)C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H15ClN2O2/c1-19(10-11-2-5-15(17)18-9-11)16(20)13-3-4-14-12(8-13)6-7-21-14/h2-5,8-9H,6-7,10H2,1H3
InChIKeyMTBVAAYVVJFVFK-UHFFFAOYSA-N
XLogP2.94
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminopropyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 63755933
6-chloro-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]pyridine-3-carboxamide
CID 41433756
N-[(6-chloro-3-pyridinyl)methyl]-4-[(2,5-dioxoimidazolidin-1-yl)methyl]-N-methylbenzamide
CID 78851149
N-(5-aminopentyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 107206756
N-(6-amino-3-pyridinyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 115274571
N-(2-anilino-2-oxoethyl)-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86979366
methyl 4-[[(6-chloropyridine-3-carbonyl)-methylamino]methyl]benzoate
CID 37417334
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-4-(dimethylamino)benzamide
CID 2738883
N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 131913448
2-amino-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-N-methylacetamide
CID 115151665
6-chloro-N-[(3-hydroxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 47298789
3-[2,3-dihydro-1-benzofuran-5-ylmethyl(methyl)amino]-3-oxopropanoic acid
CID 115163484

Frequently Asked Questions

What is the IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide (CID 86925206) is N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is CN(Cc1ccc(Cl)nc1)C(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is MTBVAAYVVJFVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O2/c1-19(10-11-2-5-15(17)18-9-11)16(20)13-3-4-14-12(8-13)6-7-21-14/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-chloro-3-pyridinyl)methyl]-N-methyl-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 86925206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).