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

C28H33FN2O2 — CID 91061085

IUPACN-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)NCC1CCC(C(c2cccc(F)c2)N(C)C)CC1
InChIInChI=1S/C28H33FN2O2/c1-19-25(17-26(33-19)21-8-5-4-6-9-21)28(32)30-18-20-12-14-22(15-13-20)27(31(2)3)23-10-7-11-24(29)16-23/h4-11,16-17,20,22,27H,12-15,18H2,1-3H3,(H,30,32)
InChIKeyIOPBPRYGTTYZTN-UHFFFAOYSA-N
MW448.58 g/mol
LogP6.23
Rot. Bonds7

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

N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide (PubChem CID 91061085) has the molecular formula C28H33FN2O2 and a molecular weight of 448.58 g/mol. Its IUPAC name is N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide
PubChem CID91061085
Molecular FormulaC28H33FN2O2
Molecular Weight448.58 g/mol
Exact Mass448.25
IUPAC NameN-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)NCC1CCC(C(c2cccc(F)c2)N(C)C)CC1
InChIInChI=1S/C28H33FN2O2/c1-19-25(17-26(33-19)21-8-5-4-6-9-21)28(32)30-18-20-12-14-22(15-13-20)27(31(2)3)23-10-7-11-24(29)16-23/h4-11,16-17,20,22,27H,12-15,18H2,1-3H3,(H,30,32)
InChIKeyIOPBPRYGTTYZTN-UHFFFAOYSA-N
XLogP6.23
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.58
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide
CID 140542996
N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide
CID 91062196
[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl] 2-methyl-5-phenylfuran-3-carboxylate
CID 175260440
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-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
N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 141348526
2-[(3,4-dichlorophenyl)sulfonyl-methylamino]-N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]benzamide
CID 25107250
2-bromo-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]benzamide
CID 66993402
(NE)-N-[2-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]ethylidene]hydroxylamine
CID 24739897
5-chloro-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-4-methoxythiophene-3-carboxamide
CID 91569884

Frequently Asked Questions

What is the IUPAC name of N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide?
The IUPAC name of N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide (CID 91061085) is N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide.
What is the SMILES notation for N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide?
The canonical SMILES for N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide is Cc1oc(-c2ccccc2)cc1C(=O)NCC1CCC(C(c2cccc(F)c2)N(C)C)CC1.
What is the InChIKey of N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide?
The InChIKey is IOPBPRYGTTYZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33FN2O2/c1-19-25(17-26(33-19)21-8-5-4-6-9-21)28(32)30-18-20-12-14-22(15-13-20)27(31(2)3)23-10-7-11-24(29)16-23/h4-11,16-17,20,22,27H,12-15,18H2,1-3H3,(H,30,32).
What are the key properties of N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide?
N-[[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide has a molecular weight of 448.58 g/mol, XLogP of 6.23, 7 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]methyl]-2-methyl-5-phenylfuran-3-carboxamide is sourced from PubChem (CID 91061085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).