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

C17H13ClFNO2 — CID 9344604

IUPACN-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C17H13ClFNO2/c1-9-7-11(18)3-5-14(9)20-17(21)16-10(2)13-8-12(19)4-6-15(13)22-16/h3-8H,1-2H3,(H,20,21)
InChIKeyXSDPCEBRQYFIFX-UHFFFAOYSA-N
MW317.75 g/mol
LogP5.09
Rot. Bonds2

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

N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 9344604) has the molecular formula C17H13ClFNO2 and a molecular weight of 317.75 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
PubChem CID9344604
Molecular FormulaC17H13ClFNO2
Molecular Weight317.75 g/mol
Exact Mass317.06
IUPAC NameN-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)c1oc2ccc(F)cc2c1C
InChIInChI=1S/C17H13ClFNO2/c1-9-7-11(18)3-5-14(9)20-17(21)16-10(2)13-8-12(19)4-6-15(13)22-16/h3-8H,1-2H3,(H,20,21)
InChIKeyXSDPCEBRQYFIFX-UHFFFAOYSA-N
XLogP5.09
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.75
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 9344827
5-chloro-N-[4-[(4-fluorobenzoyl)amino]-2-(trifluoromethyl)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 55699301
N-(2,4-difluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7770031
(2,5-dichlorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 78907025
N-(2-bromophenyl)-5-chloro-3-methyl-1-benzofuran-2-carboxamide
CID 27843870
5-chloro-N-[2-(dimethylamino)phenyl]-3-methyl-1-benzofuran-2-carboxamide
CID 43063974
N-(2-ethylsulfonylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide
CID 55613510
(2,5-difluorophenyl)-(5-fluoro-3-methyl-1-benzofuran-2-yl)methanone
CID 112723135
methyl 2-[(5-chloro-3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 974608
5-chloro-N-(3-methoxyphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 7992434

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide (CID 9344604) is N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is Cc1cc(Cl)ccc1NC(=O)c1oc2ccc(F)cc2c1C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is XSDPCEBRQYFIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO2/c1-9-7-11(18)3-5-14(9)20-17(21)16-10(2)13-8-12(19)4-6-15(13)22-16/h3-8H,1-2H3,(H,20,21).
What are the key properties of N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide?
N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 317.75 g/mol, XLogP of 5.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-5-fluoro-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9344604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).