N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide

C23H21ClFN3O3 — CID 56502503

IUPACN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C23H21ClFN3O3/c24-17-2-1-3-19(14-17)27-10-12-28(13-11-27)22(29)15-26-23(30)21-9-8-20(31-21)16-4-6-18(25)7-5-16/h1-9,14H,10-13,15H2,(H,26,30)
InChIKeyFKVMGHKXSJQVKS-UHFFFAOYSA-N
MW441.89 g/mol
LogP3.82
Rot. Bonds5

About N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide (PubChem CID 56502503) has the molecular formula C23H21ClFN3O3 and a molecular weight of 441.89 g/mol. Its IUPAC name is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide
PubChem CID56502503
Molecular FormulaC23H21ClFN3O3
Molecular Weight441.89 g/mol
Exact Mass441.13
IUPAC NameN-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide
SMILESO=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C23H21ClFN3O3/c24-17-2-1-3-19(14-17)27-10-12-28(13-11-27)22(29)15-26-23(30)21-9-8-20(31-21)16-4-6-18(25)7-5-16/h1-9,14H,10-13,15H2,(H,26,30)
InChIKeyFKVMGHKXSJQVKS-UHFFFAOYSA-N
XLogP3.82
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112994503
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanethione
CID 16957254
5-bromo-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 7494653
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-3-(4-fluorophenyl)imidazole-4-carboxamide
CID 56504294
[5-(4-fluorophenyl)furan-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18282964
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-methylpropanamide
CID 51108233
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-2-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
CID 56504292
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(2,4-difluoroanilino)ethanone
CID 109004385
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 56503276
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methylamino]ethanone
CID 167980539
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanethione
CID 1323906
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-nitrophenyl)furan-2-yl]methanone
CID 9146078

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The IUPAC name of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide (CID 56502503) is N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide is O=C(NCC(=O)N1CCN(c2cccc(Cl)c2)CC1)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide?
The InChIKey is FKVMGHKXSJQVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClFN3O3/c24-17-2-1-3-19(14-17)27-10-12-28(13-11-27)22(29)15-26-23(30)21-9-8-20(31-21)16-4-6-18(25)7-5-16/h1-9,14H,10-13,15H2,(H,26,30).
What are the key properties of N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide?
N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide has a molecular weight of 441.89 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)furan-2-carboxamide is sourced from PubChem (CID 56502503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).