N-[(2-fluoro-5-methoxyphenyl)methyl]-1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxamide

C21H17FN2O3 — CID 121367814

IUPACN-[(2-fluoro-5-methoxyphenyl)methyl]-1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxamide
SMILESCOc1ccc(F)c(CNC(=O)c2ccc3c(c2)oc2c(C)nccc23)c1
InChIInChI=1S/C21H17FN2O3/c1-12-20-17(7-8-23-12)16-5-3-13(10-19(16)27-20)21(25)24-11-14-9-15(26-2)4-6-18(14)22/h3-10H,11H2,1-2H3,(H,24,25)
InChIKeyCNYXRRUNGVATTE-UHFFFAOYSA-N
MW364.38 g/mol
LogP4.37
Rot. Bonds4

About N-[(2-fluoro-5-methoxyphenyl)methyl]-1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxamide

N-[(2-fluoro-5-methoxyphenyl)methyl]-1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxamide (PubChem CID 121367814) has the molecular formula C21H17FN2O3 and a molecular weight of 364.38 g/mol. Its IUPAC name is N-[(2-fluoro-5-methoxyphenyl)methyl]-1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[(2-fluoro-5-methoxyphenyl)methyl]-1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxamide
PubChem CID121367814
Molecular FormulaC21H17FN2O3
Molecular Weight364.38 g/mol
Exact Mass364.12
IUPAC NameN-[(2-fluoro-5-methoxyphenyl)methyl]-1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxamide
SMILESCOc1ccc(F)c(CNC(=O)c2ccc3c(c2)oc2c(C)nccc23)c1
InChIInChI=1S/C21H17FN2O3/c1-12-20-17(7-8-23-12)16-5-3-13(10-19(16)27-20)21(25)24-11-14-9-15(26-2)4-6-18(14)22/h3-10H,11H2,1-2H3,(H,24,25)
InChIKeyCNYXRRUNGVATTE-UHFFFAOYSA-N
XLogP4.37
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-[(2-fluorophenyl)methyl]-1,3-benzoxazole-6-carboxamide
CID 46354270
N-[(2,4-dimethoxyphenyl)methyl]-3-fluoro-4-methylbenzamide
CID 71822155
N-[(2,5-difluorophenyl)methyl]-3,5-dimethoxybenzamide
CID 110780940
N-[(5-butoxy-2-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192103
N-[(2-fluorophenyl)methyl]-4-methoxybenzamide
CID 7758239
3-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-4-fluoro-N-[(4-methoxy-2-pyridinyl)methyl]benzamide
CID 146370750
N-[(2,5-difluorophenyl)methyl]-3-[(4-methoxybenzoyl)amino]pyrazine-2-carboxamide
CID 53166521
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-4-methoxybenzamide
CID 60736763
3-cyclopentyloxy-4-fluoro-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 137362029
2-(2,4-dimethoxyanilino)-N-[(2-fluorophenyl)methyl]pyridine-4-carboxamide
CID 109170430
N-[(2-fluorophenyl)methyl]-6-methoxyquinoline-4-carboxamide
CID 146075276

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-5-methoxyphenyl)methyl]-1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxamide?
The IUPAC name of N-[(2-fluoro-5-methoxyphenyl)methyl]-1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxamide (CID 121367814) is N-[(2-fluoro-5-methoxyphenyl)methyl]-1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-[(2-fluoro-5-methoxyphenyl)methyl]-1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-[(2-fluoro-5-methoxyphenyl)methyl]-1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxamide is COc1ccc(F)c(CNC(=O)c2ccc3c(c2)oc2c(C)nccc23)c1.
What is the InChIKey of N-[(2-fluoro-5-methoxyphenyl)methyl]-1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxamide?
The InChIKey is CNYXRRUNGVATTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O3/c1-12-20-17(7-8-23-12)16-5-3-13(10-19(16)27-20)21(25)24-11-14-9-15(26-2)4-6-18(14)22/h3-10H,11H2,1-2H3,(H,24,25).
What are the key properties of N-[(2-fluoro-5-methoxyphenyl)methyl]-1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxamide?
N-[(2-fluoro-5-methoxyphenyl)methyl]-1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxamide has a molecular weight of 364.38 g/mol, XLogP of 4.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-5-methoxyphenyl)methyl]-1-methyl-[1]benzofuro[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 121367814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).