N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide

C25H20Cl2FN3O2 — CID 19402979

IUPACN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
SMILESCc1ccc(Cl)c(OCc2ccc(C(=O)Nc3ccn(Cc4ccc(F)cc4Cl)n3)cc2)c1
InChIInChI=1S/C25H20Cl2FN3O2/c1-16-2-9-21(26)23(12-16)33-15-17-3-5-18(6-4-17)25(32)29-24-10-11-31(30-24)14-19-7-8-20(28)13-22(19)27/h2-13H,14-15H2,1H3,(H,29,30,32)
InChIKeyCVMAPSRZNBCAFG-UHFFFAOYSA-N
MW484.36 g/mol
LogP6.52
Rot. Bonds7

About N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide (PubChem CID 19402979) has the molecular formula C25H20Cl2FN3O2 and a molecular weight of 484.36 g/mol. Its IUPAC name is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
PubChem CID19402979
Molecular FormulaC25H20Cl2FN3O2
Molecular Weight484.36 g/mol
Exact Mass483.09
IUPAC NameN-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
SMILESCc1ccc(Cl)c(OCc2ccc(C(=O)Nc3ccn(Cc4ccc(F)cc4Cl)n3)cc2)c1
InChIInChI=1S/C25H20Cl2FN3O2/c1-16-2-9-21(26)23(12-16)33-15-17-3-5-18(6-4-17)25(32)29-24-10-11-31(30-24)14-19-7-8-20(28)13-22(19)27/h2-13H,14-15H2,1H3,(H,29,30,32)
InChIKeyCVMAPSRZNBCAFG-UHFFFAOYSA-N
XLogP6.52
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.36
LogP ≤ 56.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
CID 19285717
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide
CID 19336064
4-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285165
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19402900
N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19285133
3-[(4-tert-butylphenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403024
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide
CID 19402880
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-[(4-methoxyphenoxy)methyl]benzamide
CID 19345330
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-5-[(4-chloro-2-methylphenoxy)methyl]furan-2-carboxamide
CID 19402969
4-[(2-bromophenoxy)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]-5-methylpyrazol-3-yl]benzamide
CID 19345449
3-[(2,4-difluorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284664
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-[(3-chlorophenoxy)methyl]benzamide
CID 19402873

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide?
The IUPAC name of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide (CID 19402979) is N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide.
What is the SMILES notation for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide?
The canonical SMILES for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide is Cc1ccc(Cl)c(OCc2ccc(C(=O)Nc3ccn(Cc4ccc(F)cc4Cl)n3)cc2)c1.
What is the InChIKey of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide?
The InChIKey is CVMAPSRZNBCAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2FN3O2/c1-16-2-9-21(26)23(12-16)33-15-17-3-5-18(6-4-17)25(32)29-24-10-11-31(30-24)14-19-7-8-20(28)13-22(19)27/h2-13H,14-15H2,1H3,(H,29,30,32).
What are the key properties of N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide?
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide has a molecular weight of 484.36 g/mol, XLogP of 6.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2-chloro-5-methylphenoxy)methyl]benzamide is sourced from PubChem (CID 19402979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).