N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide

C27H31FN2O2 — CID 140542996

IUPACN-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)NC1CCC(C(c2cccc(F)c2)N(C)C)CC1
InChIInChI=1S/C27H31FN2O2/c1-18-24(17-25(32-18)19-8-5-4-6-9-19)27(31)29-23-14-12-20(13-15-23)26(30(2)3)21-10-7-11-22(28)16-21/h4-11,16-17,20,23,26H,12-15H2,1-3H3,(H,29,31)
InChIKeyWSHWMOJGBBEEFS-UHFFFAOYSA-N
MW434.56 g/mol
LogP5.99
Rot. Bonds6

About N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide

N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide (PubChem CID 140542996) has the molecular formula C27H31FN2O2 and a molecular weight of 434.56 g/mol. Its IUPAC name is N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide
PubChem CID140542996
Molecular FormulaC27H31FN2O2
Molecular Weight434.56 g/mol
Exact Mass434.24
IUPAC NameN-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)NC1CCC(C(c2cccc(F)c2)N(C)C)CC1
InChIInChI=1S/C27H31FN2O2/c1-18-24(17-25(32-18)19-8-5-4-6-9-19)27(31)29-23-14-12-20(13-15-23)26(30(2)3)21-10-7-11-22(28)16-21/h4-11,16-17,20,23,26H,12-15H2,1-3H3,(H,29,31)
InChIKeyWSHWMOJGBBEEFS-UHFFFAOYSA-N
XLogP5.99
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.56
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide
CID 91061085
[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl] 2-methyl-5-phenylfuran-3-carboxylate
CID 175260440
N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 141348526
N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide
CID 91062196
N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-phenylacetamide
CID 67357717
(2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate
CID 67357556
2-[(3,4-dichlorophenyl)sulfonylmethylamino]-N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]benzamide
CID 66755961
2-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]acetamide
CID 66703268
3-amino-N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]propanamide
CID 66702807
5-(4-chlorophenyl)-N-(3-fluorophenyl)-2-methylfuran-3-carboxamide
CID 16651382
N-cyclobutyl-2-(dimethylamino)-2-(3-fluorophenyl)acetamide
CID 72896838
2-[2-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]amino]-2-oxoethoxy]ethyl-(4-fluoro-2-methylphenyl)sulfamic acid
CID 66703566

Frequently Asked Questions

What is the IUPAC name of N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide?
The IUPAC name of N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide (CID 140542996) is N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide.
What is the SMILES notation for N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide?
The canonical SMILES for N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide is Cc1oc(-c2ccccc2)cc1C(=O)NC1CCC(C(c2cccc(F)c2)N(C)C)CC1.
What is the InChIKey of N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide?
The InChIKey is WSHWMOJGBBEEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN2O2/c1-18-24(17-25(32-18)19-8-5-4-6-9-19)27(31)29-23-14-12-20(13-15-23)26(30(2)3)21-10-7-11-22(28)16-21/h4-11,16-17,20,23,26H,12-15H2,1-3H3,(H,29,31).
What are the key properties of N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide?
N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide has a molecular weight of 434.56 g/mol, XLogP of 5.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide is sourced from PubChem (CID 140542996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).