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

C24H19ClFN3O2 — CID 46091710

IUPACN-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
SMILESCOc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccc(F)c(Cl)c4)cc3)[nH]n2)c1
InChIInChI=1S/C24H19ClFN3O2/c1-31-19-4-2-3-18(12-19)23-13-22(28-29-23)16-6-8-17(9-7-16)24(30)27-14-15-5-10-21(26)20(25)11-15/h2-13H,14H2,1H3,(H,27,30)(H,28,29)
InChIKeySOGZMTWADCHKMV-UHFFFAOYSA-N
MW435.89 g/mol
LogP5.47
Rot. Bonds6

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

N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide (PubChem CID 46091710) has the molecular formula C24H19ClFN3O2 and a molecular weight of 435.89 g/mol. Its IUPAC name is N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide.

Molecular Properties

Compound NameN-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
PubChem CID46091710
Molecular FormulaC24H19ClFN3O2
Molecular Weight435.89 g/mol
Exact Mass435.11
IUPAC NameN-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide
SMILESCOc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccc(F)c(Cl)c4)cc3)[nH]n2)c1
InChIInChI=1S/C24H19ClFN3O2/c1-31-19-4-2-3-18(12-19)23-13-22(28-29-23)16-6-8-17(9-7-16)24(30)27-14-15-5-10-21(26)20(25)11-15/h2-13H,14H2,1H3,(H,27,30)(H,28,29)
InChIKeySOGZMTWADCHKMV-UHFFFAOYSA-N
XLogP5.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.89
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide?
The IUPAC name of N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide (CID 46091710) is N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide.
What is the SMILES notation for N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide?
The canonical SMILES for N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide is COc1cccc(-c2cc(-c3ccc(C(=O)NCc4ccc(F)c(Cl)c4)cc3)[nH]n2)c1.
What is the InChIKey of N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide?
The InChIKey is SOGZMTWADCHKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN3O2/c1-31-19-4-2-3-18(12-19)23-13-22(28-29-23)16-6-8-17(9-7-16)24(30)27-14-15-5-10-21(26)20(25)11-15/h2-13H,14H2,1H3,(H,27,30)(H,28,29).
What are the key properties of N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide?
N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide has a molecular weight of 435.89 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-fluorophenyl)methyl]-4-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]benzamide is sourced from PubChem (CID 46091710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).