N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C16H14FNO2 — CID 46583863

IUPACN-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H14FNO2/c1-10-2-4-13(17)9-14(10)18-16(19)12-3-5-15-11(8-12)6-7-20-15/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyLJMMNMAQFMQTTN-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.32
Rot. Bonds2

About N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 46583863) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID46583863
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC NameN-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESCc1ccc(F)cc1NC(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C16H14FNO2/c1-10-2-4-13(17)9-14(10)18-16(19)12-3-5-15-11(8-12)6-7-20-15/h2-5,8-9H,6-7H2,1H3,(H,18,19)
InChIKeyLJMMNMAQFMQTTN-UHFFFAOYSA-N
XLogP3.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,4-difluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160884
N-(4-amino-5-chloro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 104667397
N-(2-fluorophenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 110693454
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluoro-2-methylphenyl)ethanone
CID 115812718
2,3-dihydro-1-benzofuran-5-yl-(4-fluoro-2,6-dimethylphenyl)methanone
CID 106877027
N-[3-[(3-fluorobenzoyl)amino]-4-methoxyphenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 55725736
3-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)-4-methylbenzamide
CID 79466753
N-[(4-fluorophenyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 47160691
3-(2,3-dihydro-1-benzofuran-5-carbonylamino)thiophene-2-carboxylic acid
CID 43171735
N-(5-tert-butyl-2-hydroxyphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 46581242
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-5-fluoro-2-methylaniline
CID 65431040
N-(5-fluoro-2-methylphenyl)-3-methylbenzamide
CID 4522552

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 46583863) is N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide is Cc1ccc(F)cc1NC(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is LJMMNMAQFMQTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-10-2-4-13(17)9-14(10)18-16(19)12-3-5-15-11(8-12)6-7-20-15/h2-5,8-9H,6-7H2,1H3,(H,18,19).
What are the key properties of N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 271.29 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 46583863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).