N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]furan-2-carboxamide

C27H27F3N2O3 — CID 66990631

IUPACN-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]furan-2-carboxamide
SMILESCN(C(=O)CNC(=O)c1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)o1)C1CCCCC1
InChIInChI=1S/C27H27F3N2O3/c1-32(22-5-3-2-4-6-22)25(33)17-31-26(34)24-16-15-23(35-24)20-9-7-18(8-10-20)19-11-13-21(14-12-19)27(28,29)30/h7-16,22H,2-6,17H2,1H3,(H,31,34)
InChIKeyHBDVQQDVVCSJJV-UHFFFAOYSA-N
MW484.52 g/mol
LogP6.15
Rot. Bonds6

About N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]furan-2-carboxamide

N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]furan-2-carboxamide (PubChem CID 66990631) has the molecular formula C27H27F3N2O3 and a molecular weight of 484.52 g/mol. Its IUPAC name is N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]furan-2-carboxamide
PubChem CID66990631
Molecular FormulaC27H27F3N2O3
Molecular Weight484.52 g/mol
Exact Mass484.20
IUPAC NameN-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]furan-2-carboxamide
SMILESCN(C(=O)CNC(=O)c1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)o1)C1CCCCC1
InChIInChI=1S/C27H27F3N2O3/c1-32(22-5-3-2-4-6-22)25(33)17-31-26(34)24-16-15-23(35-24)20-9-7-18(8-10-20)19-11-13-21(14-12-19)27(28,29)30/h7-16,22H,2-6,17H2,1H3,(H,31,34)
InChIKeyHBDVQQDVVCSJJV-UHFFFAOYSA-N
XLogP6.15
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.52
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 47128707
5-bromo-N-[2-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 26619560
4-amino-N-[2-[cyclopentyl(methyl)amino]-2-oxoethyl]benzamide
CID 43213215
N-cycloheptyl-N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55514013
2-[[5-(4-ethylphenyl)furan-2-carbonyl]amino]acetic acid
CID 82124004
(2R,3R)-N-cyclohexyl-2,3-dihydroxy-N-methyl-N'-[[4-(trifluoromethyl)phenyl]methyl]butanediamide
CID 23585604
N-[2-[cycloheptyl(methyl)amino]-2-oxoethyl]-3,5-dimethylbenzamide
CID 112805274
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27670701
N-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]phenyl]-2-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 46052325
N-cyclopropyl-N-methyl-2-[[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]amino]acetamide
CID 99820860
N-cyclohexyl-2-[(4-methoxyphenyl)methylamino]-N-methylacetamide
CID 54837999
3-bromo-N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]benzamide
CID 51210719

Frequently Asked Questions

What is the IUPAC name of N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]furan-2-carboxamide (CID 66990631) is N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]furan-2-carboxamide is CN(C(=O)CNC(=O)c1ccc(-c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)o1)C1CCCCC1.
What is the InChIKey of N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]furan-2-carboxamide?
The InChIKey is HBDVQQDVVCSJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F3N2O3/c1-32(22-5-3-2-4-6-22)25(33)17-31-26(34)24-16-15-23(35-24)20-9-7-18(8-10-20)19-11-13-21(14-12-19)27(28,29)30/h7-16,22H,2-6,17H2,1H3,(H,31,34).
What are the key properties of N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]furan-2-carboxamide?
N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]furan-2-carboxamide has a molecular weight of 484.52 g/mol, XLogP of 6.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]-5-[4-[4-(trifluoromethyl)phenyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 66990631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).