N-[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]-5-(hydroxymethyl)furan-2-carboxamide

C21H25FN2O4 — CID 169417249

IUPACN-[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]-5-(hydroxymethyl)furan-2-carboxamide
SMILESCC(NC(=O)C1CCC(NC(=O)c2ccc(CO)o2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O4/c1-13(14-2-6-16(22)7-3-14)23-20(26)15-4-8-17(9-5-15)24-21(27)19-11-10-18(12-25)28-19/h2-3,6-7,10-11,13,15,17,25H,4-5,8-9,12H2,1H3,(H,23,26)(H,24,27)
InChIKeyYZDMGEINMCIKFT-UHFFFAOYSA-N
MW388.44 g/mol
LogP3.08
Rot. Bonds6

About N-[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]-5-(hydroxymethyl)furan-2-carboxamide

N-[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]-5-(hydroxymethyl)furan-2-carboxamide (PubChem CID 169417249) has the molecular formula C21H25FN2O4 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]-5-(hydroxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]-5-(hydroxymethyl)furan-2-carboxamide
PubChem CID169417249
Molecular FormulaC21H25FN2O4
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC NameN-[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]-5-(hydroxymethyl)furan-2-carboxamide
SMILESCC(NC(=O)C1CCC(NC(=O)c2ccc(CO)o2)CC1)c1ccc(F)cc1
InChIInChI=1S/C21H25FN2O4/c1-13(14-2-6-16(22)7-3-14)23-20(26)15-4-8-17(9-5-15)24-21(27)19-11-10-18(12-25)28-19/h2-3,6-7,10-11,13,15,17,25H,4-5,8-9,12H2,1H3,(H,23,26)(H,24,27)
InChIKeyYZDMGEINMCIKFT-UHFFFAOYSA-N
XLogP3.08
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]carbamic acid
CID 67223877
N-[1-(4-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 46763137
1-[(4-fluorophenyl)methyl]-N-[1-(4-methylphenyl)ethyl]piperidine-4-carboxamide
CID 46776173
N-[1-(4-fluorophenyl)ethyl]-4-[2-[4-methoxy-3-(methylamino)phenyl]ethylamino]cyclohexane-1-carboxamide
CID 123136789
3-amino-N-[(1R)-1-(4-fluorophenyl)ethyl]cyclopentane-1-carboxamide
CID 81350102
1-benzyl-N-[(1S)-1-(4-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 94024263
N-[(1S)-1-(4-fluorophenyl)ethyl]pyrrolidine-3-carboxamide
CID 81350122
N-[1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 4878419
N-[(1S)-1-(4-fluorophenyl)ethyl]-5-methylfuran-2-carboxamide
CID 2452836
(3R)-N-[(1R)-1-(4-fluorophenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-3-carboxamide
CID 94024257
N-[1-(3,4-dimethylphenyl)ethyl]-1-[(4-fluorophenyl)methyl]piperidine-4-carboxamide
CID 46766661
3-(cyclopropylamino)-N-[1-(4-fluorophenyl)ethyl]propanamide
CID 61248085

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]-5-(hydroxymethyl)furan-2-carboxamide?
The IUPAC name of N-[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]-5-(hydroxymethyl)furan-2-carboxamide (CID 169417249) is N-[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]-5-(hydroxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]-5-(hydroxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]-5-(hydroxymethyl)furan-2-carboxamide is CC(NC(=O)C1CCC(NC(=O)c2ccc(CO)o2)CC1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]-5-(hydroxymethyl)furan-2-carboxamide?
The InChIKey is YZDMGEINMCIKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4/c1-13(14-2-6-16(22)7-3-14)23-20(26)15-4-8-17(9-5-15)24-21(27)19-11-10-18(12-25)28-19/h2-3,6-7,10-11,13,15,17,25H,4-5,8-9,12H2,1H3,(H,23,26)(H,24,27).
What are the key properties of N-[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]-5-(hydroxymethyl)furan-2-carboxamide?
N-[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]-5-(hydroxymethyl)furan-2-carboxamide has a molecular weight of 388.44 g/mol, XLogP of 3.08, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-fluorophenyl)ethylcarbamoyl]cyclohexyl]-5-(hydroxymethyl)furan-2-carboxamide is sourced from PubChem (CID 169417249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).