N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

C23H23ClFN3O3 — CID 35357364

IUPACN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(COc3ccc(F)cc3)o2)CC1
InChIInChI=1S/C23H23ClFN3O3/c1-27-10-12-28(13-11-27)21-8-2-16(24)14-20(21)26-23(29)22-9-7-19(31-22)15-30-18-5-3-17(25)4-6-18/h2-9,14H,10-13,15H2,1H3,(H,26,29)
InChIKeyJFXQCOQPKARMQQ-UHFFFAOYSA-N
MW443.91 g/mol
LogP4.66
Rot. Bonds6

About N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide

N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (PubChem CID 35357364) has the molecular formula C23H23ClFN3O3 and a molecular weight of 443.91 g/mol. Its IUPAC name is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
PubChem CID35357364
Molecular FormulaC23H23ClFN3O3
Molecular Weight443.91 g/mol
Exact Mass443.14
IUPAC NameN-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
SMILESCN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(COc3ccc(F)cc3)o2)CC1
InChIInChI=1S/C23H23ClFN3O3/c1-27-10-12-28(13-11-27)21-8-2-16(24)14-20(21)26-23(29)22-9-7-19(31-22)15-30-18-5-3-17(25)4-6-18/h2-9,14H,10-13,15H2,1H3,(H,26,29)
InChIKeyJFXQCOQPKARMQQ-UHFFFAOYSA-N
XLogP4.66
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.91
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-hydroxyphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 19413042
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-fluorophenoxy)acetamide
CID 18082342
5-[(4-fluorophenoxy)methyl]-N-[[2-(4-methylpiperazin-1-yl)phenyl]methyl]furan-2-carboxamide
CID 56517035
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-3-(4-fluorophenyl)propanamide
CID 18196017
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 78772512
N-(5-chloro-2-methylphenyl)-5-[(4-ethylphenoxy)methyl]furan-2-carboxamide
CID 19415875
2-chloro-N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-fluorobenzamide
CID 35355092
N-(2,4-dichlorophenyl)-5-[(4-methylphenoxy)methyl]furan-2-carboxamide
CID 18830642
methyl 4-[[5-[(5-chloro-2-hydroxyphenyl)carbamoyl]furan-2-yl]methoxy]benzoate
CID 19448963
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-2-(4-nitrophenoxy)acetamide
CID 18084207
N-(2,3-dimethylphenyl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 16547761
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide
CID 26903055

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The IUPAC name of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide (CID 35357364) is N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The canonical SMILES for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is CN1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(COc3ccc(F)cc3)o2)CC1.
What is the InChIKey of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
The InChIKey is JFXQCOQPKARMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN3O3/c1-27-10-12-28(13-11-27)21-8-2-16(24)14-20(21)26-23(29)22-9-7-19(31-22)15-30-18-5-3-17(25)4-6-18/h2-9,14H,10-13,15H2,1H3,(H,26,29).
What are the key properties of N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide?
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide has a molecular weight of 443.91 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-5-[(4-fluorophenoxy)methyl]furan-2-carboxamide is sourced from PubChem (CID 35357364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).