N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide

C20H18FNO2 — CID 55928942

IUPACN-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(Cc3ccccc3F)C3CC3)cc2c1
InChIInChI=1S/C20H18FNO2/c1-13-6-9-18-15(10-13)11-19(24-18)20(23)22(16-7-8-16)12-14-4-2-3-5-17(14)21/h2-6,9-11,16H,7-8,12H2,1H3
InChIKeyJROOSYDNYMYMIL-UHFFFAOYSA-N
MW323.37 g/mol
LogP4.69
Rot. Bonds4

About N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide

N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 55928942) has the molecular formula C20H18FNO2 and a molecular weight of 323.37 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
PubChem CID55928942
Molecular FormulaC20H18FNO2
Molecular Weight323.37 g/mol
Exact Mass323.13
IUPAC NameN-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)N(Cc3ccccc3F)C3CC3)cc2c1
InChIInChI=1S/C20H18FNO2/c1-13-6-9-18-15(10-13)11-19(24-18)20(23)22(16-7-8-16)12-14-4-2-3-5-17(14)21/h2-6,9-11,16H,7-8,12H2,1H3
InChIKeyJROOSYDNYMYMIL-UHFFFAOYSA-N
XLogP4.69
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-aminoethyl)-N-cyclopentyl-5-methyl-1-benzofuran-2-carboxamide
CID 63753713
N-cyclobutyl-N-(2-hydroxyethyl)-5-methyl-1-benzofuran-2-carboxamide
CID 102684442
N-(3-bromopropyl)-N-cyclobutyl-5-methyl-1-benzofuran-2-carboxamide
CID 102872366
(2S)-2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-3-methylbutanamide
CID 61162931
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 134013781
N-[(2-hydroxyphenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide
CID 115598745
2-amino-N-cyclopropyl-N-[(2-fluorophenyl)methyl]acetamide;hydrochloride
CID 119272337
2-(aminomethyl)-N-cyclopropyl-N-[(2-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66375709
N-cyclopropyl-3-(2,5-dimethylphenoxy)-N-[(2-fluorophenyl)methyl]propanamide
CID 134013720
1-N,4-N-dicyclopropyl-1-N,4-N-bis[(2-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 134013706
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-2-(methylcarbamoylamino)acetamide
CID 75402782
6-bromo-N-cyclopropyl-N-[(2-fluorophenyl)methyl]pyridine-2-carboxamide
CID 103874178

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide (CID 55928942) is N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)N(Cc3ccccc3F)C3CC3)cc2c1.
What is the InChIKey of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is JROOSYDNYMYMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO2/c1-13-6-9-18-15(10-13)11-19(24-18)20(23)22(16-7-8-16)12-14-4-2-3-5-17(14)21/h2-6,9-11,16H,7-8,12H2,1H3.
What are the key properties of N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide?
N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-fluorophenyl)methyl]-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55928942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).