N-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

C21H17F2NO2 — CID 18133644

IUPACN-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(c1ccc(-c2ccc(F)cc2)o1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C21H17F2NO2/c22-16-5-1-14(2-6-16)13-24(18-9-10-18)21(25)20-12-11-19(26-20)15-3-7-17(23)8-4-15/h1-8,11-12,18H,9-10,13H2
InChIKeyMLYPYXNCKQGXPS-UHFFFAOYSA-N
MW353.37 g/mol
LogP5.03
Rot. Bonds5

About N-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

N-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (PubChem CID 18133644) has the molecular formula C21H17F2NO2 and a molecular weight of 353.37 g/mol. Its IUPAC name is N-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
PubChem CID18133644
Molecular FormulaC21H17F2NO2
Molecular Weight353.37 g/mol
Exact Mass353.12
IUPAC NameN-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
SMILESO=C(c1ccc(-c2ccc(F)cc2)o1)N(Cc1ccc(F)cc1)C1CC1
InChIInChI=1S/C21H17F2NO2/c22-16-5-1-14(2-6-16)13-24(18-9-10-18)21(25)20-12-11-19(26-20)15-3-7-17(23)8-4-15/h1-8,11-12,18H,9-10,13H2
InChIKeyMLYPYXNCKQGXPS-UHFFFAOYSA-N
XLogP5.03
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.37
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 60666540
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 39447049
2-bromo-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-methylpropanamide
CID 114328092
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-5-(4-fluorophenyl)furan-2-carboxamide
CID 8533422
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-2-(4-methylphenyl)acetamide
CID 78814100
5-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-N-methylfuran-2-carboxamide
CID 109399945
5-(2,5-dichlorophenyl)-N-[(3R)-1,1-dioxothiolan-3-yl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
CID 35346467
N-cyclopropyl-2,2-difluoro-N-[(4-fluorophenyl)methyl]acetamide
CID 103603514
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-5-methylthiophene-2-carboxamide
CID 78814368
1-[5-(4-fluorophenyl)furan-2-yl]propan-1-one
CID 62632212
5-(4-fluorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]furan-2-carboxamide
CID 8967449
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-3-methylthiophene-2-carboxamide
CID 78814308

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide (CID 18133644) is N-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is O=C(c1ccc(-c2ccc(F)cc2)o1)N(Cc1ccc(F)cc1)C1CC1.
What is the InChIKey of N-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
The InChIKey is MLYPYXNCKQGXPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2NO2/c22-16-5-1-14(2-6-16)13-24(18-9-10-18)21(25)20-12-11-19(26-20)15-3-7-17(23)8-4-15/h1-8,11-12,18H,9-10,13H2.
What are the key properties of N-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide?
N-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide has a molecular weight of 353.37 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 18133644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).