N-[4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid

C25H24ClF3N2O5 — CID 44526562

IUPACN-[4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1ccc(OC2CCN(Cc3ccccc3)CC2)c(Cl)c1)c1ccco1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H23ClN2O3.C2HF3O2/c24-20-15-18(25-23(27)22-7-4-14-28-22)8-9-21(20)29-19-10-12-26(13-11-19)16-17-5-2-1-3-6-17;3-2(4,5)1(6)7/h1-9,14-15,19H,10-13,16H2,(H,25,27);(H,6,7)
InChIKeyDIEMELTZGNMYAY-UHFFFAOYSA-N
MW524.92 g/mol
LogP5.86
Rot. Bonds6

About N-[4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid

N-[4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 44526562) has the molecular formula C25H24ClF3N2O5 and a molecular weight of 524.92 g/mol. Its IUPAC name is N-[4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID44526562
Molecular FormulaC25H24ClF3N2O5
Molecular Weight524.92 g/mol
Exact Mass524.13
IUPAC NameN-[4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESO=C(Nc1ccc(OC2CCN(Cc3ccccc3)CC2)c(Cl)c1)c1ccco1.O=C(O)C(F)(F)F
InChIInChI=1S/C23H23ClN2O3.C2HF3O2/c24-20-15-18(25-23(27)22-7-4-14-28-22)8-9-21(20)29-19-10-12-26(13-11-19)16-17-5-2-1-3-6-17;3-2(4,5)1(6)7/h1-9,14-15,19H,10-13,16H2,(H,25,27);(H,6,7)
InChIKeyDIEMELTZGNMYAY-UHFFFAOYSA-N
XLogP5.86
TPSA92.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.92
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid 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

[2-(3-Chloro-4-methoxyanilino)-2-oxoethyl] 3-(furan-2-carbonylamino)propanoate
CID 9108887
N-[3-[3-chloro-4-(difluoromethoxy)anilino]-3-oxopropyl]furan-2-carboxamide
CID 2442623
N-[4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxy-3-methylphenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526153
N-[3-chloro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526155
N-[3-chloro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]benzamide;2,2,2-trifluoroacetic acid
CID 44526157
N-[3-chloro-4-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]oxyphenyl]-4-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 44526159
N-[3-chloro-4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]furan-3-carboxamide;2,2,2-trifluoroacetic acid
CID 44526165
N-[4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxy-3-methylphenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526175
N-[3-chloro-4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526177
N-[3-chloro-4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]benzamide;2,2,2-trifluoroacetic acid
CID 44526179
N-[3-chloro-4-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]oxyphenyl]-4-fluorobenzamide;2,2,2-trifluoroacetic acid
CID 44526181
N-[3-chloro-4-[1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]oxyphenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid
CID 44526530

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid (CID 44526562) is N-[4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid is O=C(Nc1ccc(OC2CCN(Cc3ccccc3)CC2)c(Cl)c1)c1ccco1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is DIEMELTZGNMYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3.C2HF3O2/c24-20-15-18(25-23(27)22-7-4-14-28-22)8-9-21(20)29-19-10-12-26(13-11-19)16-17-5-2-1-3-6-17;3-2(4,5)1(6)7/h1-9,14-15,19H,10-13,16H2,(H,25,27);(H,6,7).
What are the key properties of N-[4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 524.92 g/mol, XLogP of 5.86, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-benzylpiperidin-4-yl)oxy-3-chlorophenyl]furan-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 44526562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).