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

C28H33ClN2O2 — CID 91062196

IUPACN-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)NCC1CCC(C(c2ccc(Cl)cc2)N(C)C)CC1
InChIInChI=1S/C28H33ClN2O2/c1-19-25(17-26(33-19)21-7-5-4-6-8-21)28(32)30-18-20-9-11-22(12-10-20)27(31(2)3)23-13-15-24(29)16-14-23/h4-8,13-17,20,22,27H,9-12,18H2,1-3H3,(H,30,32)
InChIKeyLDIRNJWVSOAPPO-UHFFFAOYSA-N
MW465.04 g/mol
LogP6.75
Rot. Bonds7

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

N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide (PubChem CID 91062196) has the molecular formula C28H33ClN2O2 and a molecular weight of 465.04 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide
PubChem CID91062196
Molecular FormulaC28H33ClN2O2
Molecular Weight465.04 g/mol
Exact Mass464.22
IUPAC NameN-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide
SMILESCc1oc(-c2ccccc2)cc1C(=O)NCC1CCC(C(c2ccc(Cl)cc2)N(C)C)CC1
InChIInChI=1S/C28H33ClN2O2/c1-19-25(17-26(33-19)21-7-5-4-6-8-21)28(32)30-18-20-9-11-22(12-10-20)27(31(2)3)23-13-15-24(29)16-14-23/h4-8,13-17,20,22,27H,9-12,18H2,1-3H3,(H,30,32)
InChIKeyLDIRNJWVSOAPPO-UHFFFAOYSA-N
XLogP6.75
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.04
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[4-[(4-chlorophenyl)-(dimethylamino)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]methyl]-2-methyl-5-phenylfuran-3-carboxamide
CID 91061085
(2-methyl-5-phenylfuran-3-yl) N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]carbamate
CID 67357556
2-bromo-N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]benzamide
CID 66993402
N-[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl]-2-methyl-5-phenylfuran-3-carboxamide
CID 140542996
N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-(3-methoxyphenyl)acetamide
CID 66994392
[4-[dimethylamino-(3-fluorophenyl)methyl]cyclohexyl] 2-methyl-5-phenylfuran-3-carboxylate
CID 175260440
2-[(3,4-dichlorophenyl)sulfonyl-methylamino]-N-[[4-[dimethylamino(phenyl)methyl]cyclohexyl]methyl]benzamide
CID 25107250
5-(4-chlorophenyl)-2-methyl-N-(2-phenylethyl)furan-3-carboxamide
CID 16651429
5-(4-chlorophenyl)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]furan-3-carboxamide
CID 42107591
5-(4-chlorophenyl)-N-(2-hydroxyethyl)-2-methylfuran-3-carboxamide
CID 16651453
5-chloro-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]-4-methoxythiophene-3-carboxamide
CID 91569884
2-[(3,4-dichlorophenyl)sulfonylmethylamino]-N-[[4-[dimethylamino-(4-fluorophenyl)methyl]cyclohexyl]methyl]benzamide
CID 66756082

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide?
The IUPAC name of N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide (CID 91062196) is N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide?
The canonical SMILES for N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide is Cc1oc(-c2ccccc2)cc1C(=O)NCC1CCC(C(c2ccc(Cl)cc2)N(C)C)CC1.
What is the InChIKey of N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide?
The InChIKey is LDIRNJWVSOAPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33ClN2O2/c1-19-25(17-26(33-19)21-7-5-4-6-8-21)28(32)30-18-20-9-11-22(12-10-20)27(31(2)3)23-13-15-24(29)16-14-23/h4-8,13-17,20,22,27H,9-12,18H2,1-3H3,(H,30,32).
What are the key properties of N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide?
N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide has a molecular weight of 465.04 g/mol, XLogP of 6.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chlorophenyl)-(dimethylamino)methyl]cyclohexyl]methyl]-2-methyl-5-phenylfuran-3-carboxamide is sourced from PubChem (CID 91062196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).