N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide

C14H14FNO2 — CID 2452836

IUPACN-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)o1
InChIInChI=1S/C14H14FNO2/c1-9-3-8-13(18-9)14(17)16-10(2)11-4-6-12(15)7-5-11/h3-8,10H,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyMZIWKBWCLAQJTA-JTQLQIEISA-N
MW247.27 g/mol
LogP3.22
Rot. Bonds3

About N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide

N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide (PubChem CID 2452836) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
PubChem CID2452836
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC NameN-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)o1
InChIInChI=1S/C14H14FNO2/c1-9-3-8-13(18-9)14(17)16-10(2)11-4-6-12(15)7-5-11/h3-8,10H,1-2H3,(H,16,17)/t10-/m0/s1
InChIKeyMZIWKBWCLAQJTA-JTQLQIEISA-N
XLogP3.22
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 4878419
5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 844051
5-(4-fluorophenyl)-N-(1-pyridin-4-ylethyl)furan-2-carboxamide
CID 51185180
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
N-[1-(2,4-dichloro-5-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 112764235
2-(4-fluorophenyl)-N-[(1R)-1-(5-methylfuran-2-yl)ethyl]acetamide
CID 51922977
3,5-difluoro-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 43906716
N-[1-(4-fluorophenyl)ethyl]-4-methoxybenzamide
CID 17406706
N-[1-(4-fluorophenyl)ethyl]-4-(methoxymethyl)benzamide
CID 17435884
5-chloro-N-[1-(4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 113221625
2-N,6-N-bis[1-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 46430353
N-(1-hydroxy-3-methylbutan-2-yl)-5-methylfuran-2-carboxamide
CID 79252093

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide?
The IUPAC name of N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide (CID 2452836) is N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide is Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)o1.
What is the InChIKey of N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide?
The InChIKey is MZIWKBWCLAQJTA-JTQLQIEISA-N. The full InChI is InChI=1S/C14H14FNO2/c1-9-3-8-13(18-9)14(17)16-10(2)11-4-6-12(15)7-5-11/h3-8,10H,1-2H3,(H,16,17)/t10-/m0/s1.
What are the key properties of N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide?
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide has a molecular weight of 247.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide is sourced from PubChem (CID 2452836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).