N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

C18H15ClFNO3 — CID 9344827

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C18H15ClFNO3/c1-9-6-14(16(23-3)8-13(9)19)21-18(22)17-10(2)12-7-11(20)4-5-15(12)24-17/h4-8H,1-3H3,(H,21,22)
InChIKeyOOGDLBXCMVNJQL-UHFFFAOYSA-N
MW347.77 g/mol
LogP5.10
Rot. Bonds3

About N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 9344827) has the molecular formula C18H15ClFNO3 and a molecular weight of 347.77 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID9344827
Molecular FormulaC18H15ClFNO3
Molecular Weight347.77 g/mol
Exact Mass347.07
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCOc1cc(Cl)c(C)cc1NC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C18H15ClFNO3/c1-9-6-14(16(23-3)8-13(9)19)21-18(22)17-10(2)12-7-11(20)4-5-15(12)24-17/h4-8H,1-3H3,(H,21,22)
InChIKeyOOGDLBXCMVNJQL-UHFFFAOYSA-N
XLogP5.10
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.77
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344604
N-(5-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344840
N-(4-bromo-2-fluorophenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344702
N'-(4-chloro-2-methoxy-5-methylphenyl)-N-(4-fluorophenyl)oxamide
CID 108512659
N-(3-chloro-4-methylphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 2679149
5-fluoro-N-(2-methoxyethoxy)-3-methyl-1-benzofuran-2-carboxamide
CID 79675667
2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)-4,5-difluorobenzamide
CID 4852133
N-(4-chloro-2-methoxy-5-methylphenyl)-2,3-dimethylbenzamide
CID 2107284
N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55613510
N-(4-chloro-2,5-dimethoxyphenyl)-5-fluoro-3-methyl-1H-indole-2-carboxamide
CID 113204660
methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 974608
N-(4-chloro-2-methoxy-5-methylphenyl)-2,6-dihydroxybenzamide
CID 107688924

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 9344827) is N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is OOGDLBXCMVNJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO3/c1-9-6-14(16(23-3)8-13(9)19)21-18(22)17-10(2)12-7-11(20)4-5-15(12)24-17/h4-8H,1-3H3,(H,21,22).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 347.77 g/mol, XLogP of 5.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9344827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).