N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide

C21H25F2NO3 — CID 119059685

IUPACN-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide
SMILESCc1ccc(-c2ccc(CCC(=O)NCC3(O)CCC(F)(F)CC3)o2)cc1
InChIInChI=1S/C21H25F2NO3/c1-15-2-4-16(5-3-15)18-8-6-17(27-18)7-9-19(25)24-14-20(26)10-12-21(22,23)13-11-20/h2-6,8,26H,7,9-14H2,1H3,(H,24,25)
InChIKeyAIGFHTOKZKBZND-UHFFFAOYSA-N
MW377.43 g/mol
LogP4.24
Rot. Bonds6

About N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide

N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide (PubChem CID 119059685) has the molecular formula C21H25F2NO3 and a molecular weight of 377.43 g/mol. Its IUPAC name is N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide
PubChem CID119059685
Molecular FormulaC21H25F2NO3
Molecular Weight377.43 g/mol
Exact Mass377.18
IUPAC NameN-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide
SMILESCc1ccc(-c2ccc(CCC(=O)NCC3(O)CCC(F)(F)CC3)o2)cc1
InChIInChI=1S/C21H25F2NO3/c1-15-2-4-16(5-3-15)18-8-6-17(27-18)7-9-19(25)24-14-20(26)10-12-21(22,23)13-11-20/h2-6,8,26H,7,9-14H2,1H3,(H,24,25)
InChIKeyAIGFHTOKZKBZND-UHFFFAOYSA-N
XLogP4.24
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.43
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-3-(5-methylfuran-2-yl)propanamide
CID 111560563
N-[(1-hydroxycyclopentyl)methyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 111332905
N-[(1-hydroxy-4,4-dimethylcyclohexyl)methyl]-2-(4-methylphenyl)acetamide
CID 65119553
N-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide
CID 119063917
3-[5-(2-fluorophenyl)furan-2-yl]-N-[(3-hydroxyoxolan-3-yl)methyl]propanamide
CID 71909802
3-(5-phenylfuran-2-yl)-N-(2-phenylpropyl)propanamide
CID 42907748
3-[5-(4-methoxyphenyl)furan-2-yl]-N-propylpropanamide
CID 22587421
N-(3-chloro-4-methylphenyl)-3-[5-(4-methylphenyl)furan-2-yl]propanamide
CID 22587398
N-[(3-hydroxypyrrolidin-3-yl)methyl]-3-(4-methylphenyl)propanamide
CID 114760850
N'-[2-(4-methylphenyl)sulfanylacetyl]-3-(5-phenylfuran-2-yl)propanehydrazide
CID 9418178
N-[(3-hydroxythiolan-3-yl)methyl]-3-(4-methylphenyl)propanamide
CID 111596948
N-[[4-(hydroxymethyl)oxan-4-yl]methyl]-N-methyl-3-[5-(4-methylphenyl)furan-2-yl]propanamide
CID 118772076

Frequently Asked Questions

What is the IUPAC name of N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide?
The IUPAC name of N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide (CID 119059685) is N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide?
The canonical SMILES for N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide is Cc1ccc(-c2ccc(CCC(=O)NCC3(O)CCC(F)(F)CC3)o2)cc1.
What is the InChIKey of N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide?
The InChIKey is AIGFHTOKZKBZND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2NO3/c1-15-2-4-16(5-3-15)18-8-6-17(27-18)7-9-19(25)24-14-20(26)10-12-21(22,23)13-11-20/h2-6,8,26H,7,9-14H2,1H3,(H,24,25).
What are the key properties of N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide?
N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide has a molecular weight of 377.43 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,4-difluoro-1-hydroxycyclohexyl)methyl]-3-[5-(4-methylphenyl)furan-2-yl]propanamide is sourced from PubChem (CID 119059685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).