5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide

C24H19BrCl2FN3O3 — CID 19393937

IUPAC5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)c1ccc(COc2ccc(Br)cc2Cl)o1
InChIInChI=1S/C24H19BrCl2FN3O3/c1-13-23(14(2)31(30-13)11-15-3-5-17(28)10-19(15)26)29-24(32)22-8-6-18(34-22)12-33-21-7-4-16(25)9-20(21)27/h3-10H,11-12H2,1-2H3,(H,29,32)
InChIKeyCJXDAARVWZDKKB-UHFFFAOYSA-N
MW567.24 g/mol
LogP7.18
Rot. Bonds7

About 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide

5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide (PubChem CID 19393937) has the molecular formula C24H19BrCl2FN3O3 and a molecular weight of 567.24 g/mol. Its IUPAC name is 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
PubChem CID19393937
Molecular FormulaC24H19BrCl2FN3O3
Molecular Weight567.24 g/mol
Exact Mass565.00
IUPAC Name5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
SMILESCc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)c1ccc(COc2ccc(Br)cc2Cl)o1
InChIInChI=1S/C24H19BrCl2FN3O3/c1-13-23(14(2)31(30-13)11-15-3-5-17(28)10-19(15)26)29-24(32)22-8-6-18(34-22)12-33-21-7-4-16(25)9-20(21)27/h3-10H,11-12H2,1-2H3,(H,29,32)
InChIKeyCJXDAARVWZDKKB-UHFFFAOYSA-N
XLogP7.18
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.24
LogP ≤ 57.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
CID 19409760
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(2,3-dichlorophenoxy)methyl]furan-2-carboxamide
CID 19393892
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
CID 19411905
5-[(2-chloro-4-fluorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2,3,4,5,6-pentafluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19402061
N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467347
5-[(2-bromophenoxy)methyl]-N-[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
CID 19450231
5-[(2,4-dichlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19337889
5-[(2,4-difluorophenoxy)methyl]-N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19453092
5-[(2,4-dichlorophenoxy)methyl]-N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide
CID 19411804
N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-[(2-methylphenoxy)methyl]furan-2-carboxamide
CID 19335530
5-[(4-bromo-2-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)furan-2-carboxamide
CID 19463738
4-[(4-bromo-2-chlorophenoxy)methyl]-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19338018

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide (CID 19393937) is 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide is Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)c1ccc(COc2ccc(Br)cc2Cl)o1.
What is the InChIKey of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide?
The InChIKey is CJXDAARVWZDKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19BrCl2FN3O3/c1-13-23(14(2)31(30-13)11-15-3-5-17(28)10-19(15)26)29-24(32)22-8-6-18(34-22)12-33-21-7-4-16(25)9-20(21)27/h3-10H,11-12H2,1-2H3,(H,29,32).
What are the key properties of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide?
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide has a molecular weight of 567.24 g/mol, XLogP of 7.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 19393937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).