5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]-N-(1-phenylethyl)furan-2-carboxamide

C24H27FN2O2 — CID 42750686

IUPAC5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(CN(Cc2ccccc2F)C(C)C)o1)c1ccccc1
InChIInChI=1S/C24H27FN2O2/c1-17(2)27(15-20-11-7-8-12-22(20)25)16-21-13-14-23(29-21)24(28)26-18(3)19-9-5-4-6-10-19/h4-14,17-18H,15-16H2,1-3H3,(H,26,28)
InChIKeyJXDHWMBCJVCLFM-UHFFFAOYSA-N
MW394.49 g/mol
LogP5.32
Rot. Bonds8

About 5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]-N-(1-phenylethyl)furan-2-carboxamide

5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]-N-(1-phenylethyl)furan-2-carboxamide (PubChem CID 42750686) has the molecular formula C24H27FN2O2 and a molecular weight of 394.49 g/mol. Its IUPAC name is 5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]-N-(1-phenylethyl)furan-2-carboxamide.

Molecular Properties

Compound Name5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]-N-(1-phenylethyl)furan-2-carboxamide
PubChem CID42750686
Molecular FormulaC24H27FN2O2
Molecular Weight394.49 g/mol
Exact Mass394.21
IUPAC Name5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]-N-(1-phenylethyl)furan-2-carboxamide
SMILESCC(NC(=O)c1ccc(CN(Cc2ccccc2F)C(C)C)o1)c1ccccc1
InChIInChI=1S/C24H27FN2O2/c1-17(2)27(15-20-11-7-8-12-22(20)25)16-21-13-14-23(29-21)24(28)26-18(3)19-9-5-4-6-10-19/h4-14,17-18H,15-16H2,1-3H3,(H,26,28)
InChIKeyJXDHWMBCJVCLFM-UHFFFAOYSA-N
XLogP5.32
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.49
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]-N-(1-phenylethyl)furan-2-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

5-(2-fluorophenyl)-N-[(1R)-1-phenylethyl]furan-2-carboxamide
CID 51427238
5-methyl-N-[(1S)-1-phenylethyl]furan-2-carboxamide
CID 844051
5-[[tert-butyl-[(2-fluorophenyl)methyl]amino]methyl]-N-(2-methylpropyl)furan-2-carboxamide
CID 42750878
N-butan-2-yl-5-[[(3-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-carboxamide
CID 42750705
5-[[benzyl-[(2-fluorophenyl)methyl]amino]methyl]-N-propylfuran-2-carboxamide
CID 3944188
5-amino-N-(1-phenylethyl)furan-2-carboxamide
CID 82344125
5-(benzenesulfonylmethyl)-N-[1-(4-methylphenyl)ethyl]furan-2-carboxamide
CID 46590352
N-[1-(3-benzamidophenyl)ethyl]-5-(diethylaminomethyl)furan-2-carboxamide
CID 47076551
5-[(3-methylphenoxy)methyl]-N-(1-phenylethyl)furan-2-carboxamide
CID 19465616
2-fluoro-N-[(1R)-1-phenylethyl]benzamide
CID 689982
5-(aminomethyl)-N-[(1R)-1-(4-chlorophenyl)ethyl]furan-2-carboxamide
CID 81354268
5-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]furan-2-carbohydrazide
CID 55215009

Frequently Asked Questions

What is the IUPAC name of 5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The IUPAC name of 5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]-N-(1-phenylethyl)furan-2-carboxamide (CID 42750686) is 5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]-N-(1-phenylethyl)furan-2-carboxamide.
What is the SMILES notation for 5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The canonical SMILES for 5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]-N-(1-phenylethyl)furan-2-carboxamide is CC(NC(=O)c1ccc(CN(Cc2ccccc2F)C(C)C)o1)c1ccccc1.
What is the InChIKey of 5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]-N-(1-phenylethyl)furan-2-carboxamide?
The InChIKey is JXDHWMBCJVCLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2/c1-17(2)27(15-20-11-7-8-12-22(20)25)16-21-13-14-23(29-21)24(28)26-18(3)19-9-5-4-6-10-19/h4-14,17-18H,15-16H2,1-3H3,(H,26,28).
What are the key properties of 5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]-N-(1-phenylethyl)furan-2-carboxamide?
5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]-N-(1-phenylethyl)furan-2-carboxamide has a molecular weight of 394.49 g/mol, XLogP of 5.32, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2-fluorophenyl)methyl-propan-2-ylamino]methyl]-N-(1-phenylethyl)furan-2-carboxamide is sourced from PubChem (CID 42750686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).