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

C18H17ClN2O3 — CID 70725060

IUPACN-[(2-chloro-3-pyridinyl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)N(C)Cc3cccnc3Cl)oc2c1
InChIInChI=1S/C18H17ClN2O3/c1-11-14-7-6-13(23-3)9-15(14)24-16(11)18(22)21(2)10-12-5-4-8-20-17(12)19/h4-9H,10H2,1-3H3
InChIKeyIIPVDKJEBDXWIY-UHFFFAOYSA-N
MW344.80 g/mol
LogP4.07
Rot. Bonds4

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

N-[(2-chloro-3-pyridinyl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 70725060) has the molecular formula C18H17ClN2O3 and a molecular weight of 344.80 g/mol. Its IUPAC name is N-[(2-chloro-3-pyridinyl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-3-pyridinyl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
PubChem CID70725060
Molecular FormulaC18H17ClN2O3
Molecular Weight344.80 g/mol
Exact Mass344.09
IUPAC NameN-[(2-chloro-3-pyridinyl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCOc1ccc2c(C)c(C(=O)N(C)Cc3cccnc3Cl)oc2c1
InChIInChI=1S/C18H17ClN2O3/c1-11-14-7-6-13(23-3)9-15(14)24-16(11)18(22)21(2)10-12-5-4-8-20-17(12)19/h4-9H,10H2,1-3H3
InChIKeyIIPVDKJEBDXWIY-UHFFFAOYSA-N
XLogP4.07
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-N,3-dimethyl-N-[(1R)-1-pyridin-3-ylpentyl]-1-benzofuran-2-carboxamide
CID 97113120
6-methoxy-3-methyl-N-[(2R)-1-pyridin-2-ylpropan-2-yl]-1-benzofuran-2-carboxamide
CID 51597055
5-methoxy-N-[(2R)-2-methoxypropyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 51597039
N,3,6-trimethyl-N-[(3-pyridin-2-yl-1,2-oxazol-5-yl)methyl]-1-benzofuran-2-carboxamide
CID 70760489
2-chloro-N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 60631218
5-bromo-N,3-dimethyl-N-(pyridin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 71888966
[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 5-methoxy-3-methyl-1-benzofuran-2-carboxylate
CID 55418601
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
CID 96580245
3,6-dimethyl-N-[(4-methylphenyl)methyl]-N-pyridin-2-yl-1-benzofuran-2-carboxamide
CID 35573006
2-[(2-chloro-3-pyridinyl)methyl-[(2,5-dimethoxyphenyl)methyl]amino]ethanol
CID 111113631
2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-(pyridin-2-ylmethyl)acetamide
CID 55980249
N-[2-chloro-6-[[(3-methoxybenzoyl)-methylamino]methyl]phenyl]pyridine-2-carboxamide
CID 66553142

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(2-chloro-3-pyridinyl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide (CID 70725060) is N-[(2-chloro-3-pyridinyl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(2-chloro-3-pyridinyl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(2-chloro-3-pyridinyl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide is COc1ccc2c(C)c(C(=O)N(C)Cc3cccnc3Cl)oc2c1.
What is the InChIKey of N-[(2-chloro-3-pyridinyl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is IIPVDKJEBDXWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN2O3/c1-11-14-7-6-13(23-3)9-15(14)24-16(11)18(22)21(2)10-12-5-4-8-20-17(12)19/h4-9H,10H2,1-3H3.
What are the key properties of N-[(2-chloro-3-pyridinyl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide?
N-[(2-chloro-3-pyridinyl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 344.80 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-3-pyridinyl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 70725060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).