N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide

C16H18FNO2 — CID 78800671

IUPACN-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C16H18FNO2/c1-3-4-11-18(2)16(19)15-10-9-14(20-15)12-7-5-6-8-13(12)17/h5-10H,3-4,11H2,1-2H3
InChIKeyGQXQZFFHFXTGLG-UHFFFAOYSA-N
MW275.32 g/mol
LogP3.96
Rot. Bonds5

About N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide

N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide (PubChem CID 78800671) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide
PubChem CID78800671
Molecular FormulaC16H18FNO2
Molecular Weight275.32 g/mol
Exact Mass275.13
IUPAC NameN-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide
SMILESCCCCN(C)C(=O)c1ccc(-c2ccccc2F)o1
InChIInChI=1S/C16H18FNO2/c1-3-4-11-18(2)16(19)15-10-9-14(20-15)12-7-5-6-8-13(12)17/h5-10H,3-4,11H2,1-2H3
InChIKeyGQXQZFFHFXTGLG-UHFFFAOYSA-N
XLogP3.96
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.32
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-fluorophenyl)-N-methoxy-N-methylfuran-2-carboxamide
CID 78797464
5-(2-fluorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylfuran-2-carboxamide
CID 109388419
5-(2-fluorophenyl)-N-piperidin-4-yl-N-propylfuran-2-carboxamide
CID 119823505
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide
CID 9140722
N-ethyl-5-(2-fluorophenyl)-N-(thiophen-2-ylmethyl)furan-2-carboxamide
CID 134014500
N-(1-aminohexan-2-yl)-5-(2-fluorophenyl)furan-2-carboxamide
CID 119665414
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-N-ethyl-5-(2-fluorophenyl)furan-2-carboxamide
CID 46562764
5-(2-fluorophenyl)-N-(2-hydroxypropyl)furan-2-carboxamide
CID 78803666
5-(2-fluorophenyl)-N-(2-methylpropyl)furan-2-carboxamide
CID 18106013
5-(2,3-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 94282375
N-butyl-N-methylfuran-2-carboxamide
CID 60670878
5-(2-fluorophenyl)-N-methyl-N-[(4-oxo-3H-thieno[3,2-d]pyrimidin-2-yl)methyl]furan-2-carboxamide
CID 135996381

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide?
The IUPAC name of N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide (CID 78800671) is N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide is CCCCN(C)C(=O)c1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide?
The InChIKey is GQXQZFFHFXTGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-3-4-11-18(2)16(19)15-10-9-14(20-15)12-7-5-6-8-13(12)17/h5-10H,3-4,11H2,1-2H3.
What are the key properties of N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide?
N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide has a molecular weight of 275.32 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-(2-fluorophenyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 78800671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).