N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide

C26H27FN2O3 — CID 3613014

IUPACN-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide
SMILESCCc1ccccc1N(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccccc1F
InChIInChI=1S/C26H27FN2O3/c1-2-18-10-3-8-15-22(18)29(26(31)23-16-9-17-32-23)24(20-13-6-7-14-21(20)27)25(30)28-19-11-4-5-12-19/h3,6-10,13-17,19,24H,2,4-5,11-12H2,1H3,(H,28,30)
InChIKeyOOFQAPGAUBOJAL-UHFFFAOYSA-N
MW434.51 g/mol
LogP5.43
Rot. Bonds7

About N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide

N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide (PubChem CID 3613014) has the molecular formula C26H27FN2O3 and a molecular weight of 434.51 g/mol. Its IUPAC name is N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide
PubChem CID3613014
Molecular FormulaC26H27FN2O3
Molecular Weight434.51 g/mol
Exact Mass434.20
IUPAC NameN-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide
SMILESCCc1ccccc1N(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccccc1F
InChIInChI=1S/C26H27FN2O3/c1-2-18-10-3-8-15-22(18)29(26(31)23-16-9-17-32-23)24(20-13-6-7-14-21(20)27)25(30)28-19-11-4-5-12-19/h3,6-10,13-17,19,24H,2,4-5,11-12H2,1H3,(H,28,30)
InChIKeyOOFQAPGAUBOJAL-UHFFFAOYSA-N
XLogP5.43
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.51
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2,4-dimethylphenyl)furan-2-carboxamide
CID 1469234
N-[(1R)-2-(cyclohexylamino)-1-(4-ethoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 25311867
N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 3196663
N-[2-(cyclopentylamino)-1-(3-methoxyphenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide
CID 3196667
N-[2-(cyclopentylamino)-1-(4-methoxyphenyl)-2-oxoethyl]-N-(2-fluorophenyl)furan-2-carboxamide
CID 3196910
N-[2-(cyclopentylamino)-2-oxo-1-phenylethyl]-N-(2-ethoxyphenyl)furan-2-carboxamide
CID 3197045
N-[2-(N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-3-methylanilino)-2-oxoethyl]furan-2-carboxamide
CID 3211542
N-[(1R)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-ethoxyphenyl)furan-2-carboxamide
CID 7145116
N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(4-methylphenyl)furan-2-carboxamide
CID 1469017
N-cyclopentyl-2-(2-fluorophenyl)-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202815
N-[(1S)-2-(cyclopentylamino)-1-(furan-2-yl)-2-oxoethyl]-N-(2,6-dimethylphenyl)furan-2-carboxamide
CID 1469023
N-[(1S)-2-(cyclopentylamino)-1-(4-methylphenyl)-2-oxoethyl]-N-(4-fluorophenyl)furan-2-carboxamide
CID 1469280

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide?
The IUPAC name of N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide (CID 3613014) is N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide is CCc1ccccc1N(C(=O)c1ccco1)C(C(=O)NC1CCCC1)c1ccccc1F.
What is the InChIKey of N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide?
The InChIKey is OOFQAPGAUBOJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O3/c1-2-18-10-3-8-15-22(18)29(26(31)23-16-9-17-32-23)24(20-13-6-7-14-21(20)27)25(30)28-19-11-4-5-12-19/h3,6-10,13-17,19,24H,2,4-5,11-12H2,1H3,(H,28,30).
What are the key properties of N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide?
N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide has a molecular weight of 434.51 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylamino)-1-(2-fluorophenyl)-2-oxoethyl]-N-(2-ethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 3613014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).