N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide

C24H18ClF2N3O2 — CID 19407715

IUPACN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide
SMILESO=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cccc(COc2ccc(F)cc2F)c1
InChIInChI=1S/C24H18ClF2N3O2/c25-19-6-4-16(5-7-19)13-30-14-21(12-28-30)29-24(31)18-3-1-2-17(10-18)15-32-23-9-8-20(26)11-22(23)27/h1-12,14H,13,15H2,(H,29,31)
InChIKeyVHPNWOWLBWRFOH-UHFFFAOYSA-N
MW453.88 g/mol
LogP5.69
Rot. Bonds7

About N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide

N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide (PubChem CID 19407715) has the molecular formula C24H18ClF2N3O2 and a molecular weight of 453.88 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide
PubChem CID19407715
Molecular FormulaC24H18ClF2N3O2
Molecular Weight453.88 g/mol
Exact Mass453.11
IUPAC NameN-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide
SMILESO=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cccc(COc2ccc(F)cc2F)c1
InChIInChI=1S/C24H18ClF2N3O2/c25-19-6-4-16(5-7-19)13-30-14-21(12-28-30)29-24(31)18-3-1-2-17(10-18)15-32-23-9-8-20(26)11-22(23)27/h1-12,14H,13,15H2,(H,29,31)
InChIKeyVHPNWOWLBWRFOH-UHFFFAOYSA-N
XLogP5.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.88
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336496
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(4-chloro-2-methylphenoxy)methyl]benzamide
CID 19336058
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,5-dimethylphenoxy)methyl]benzamide
CID 19407721
3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338287
3-[(2,4-dichlorophenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19399869
3-[(2-chlorophenoxy)methyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19400071
3-[(4-chloro-2-methylphenoxy)methyl]-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395606
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19412693
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19407652
3-[(4-bromophenoxy)methyl]-N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]benzamide
CID 19403863
3-[(2-chlorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410119
N-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-[(2,4-dimethylphenoxy)methyl]benzamide
CID 19404020

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide (CID 19407715) is N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide is O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1cccc(COc2ccc(F)cc2F)c1.
What is the InChIKey of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide?
The InChIKey is VHPNWOWLBWRFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClF2N3O2/c25-19-6-4-16(5-7-19)13-30-14-21(12-28-30)29-24(31)18-3-1-2-17(10-18)15-32-23-9-8-20(26)11-22(23)27/h1-12,14H,13,15H2,(H,29,31).
What are the key properties of N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide?
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide has a molecular weight of 453.88 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-3-[(2,4-difluorophenoxy)methyl]benzamide is sourced from PubChem (CID 19407715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).