N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide

C19H16BrCl2N3O2 — CID 35274735

IUPACN-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCc1ccc(Cn2cc(Br)c(NC(=O)COc3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C19H16BrCl2N3O2/c1-12-2-4-13(5-3-12)9-25-10-15(20)19(24-25)23-18(26)11-27-17-7-6-14(21)8-16(17)22/h2-8,10H,9,11H2,1H3,(H,23,24,26)
InChIKeyCPWOXODZGOLWMZ-UHFFFAOYSA-N
MW469.17 g/mol
LogP5.33
Rot. Bonds6

About N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide

N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 35274735) has the molecular formula C19H16BrCl2N3O2 and a molecular weight of 469.17 g/mol. Its IUPAC name is N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID35274735
Molecular FormulaC19H16BrCl2N3O2
Molecular Weight469.17 g/mol
Exact Mass466.98
IUPAC NameN-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCc1ccc(Cn2cc(Br)c(NC(=O)COc3ccc(Cl)cc3Cl)n2)cc1
InChIInChI=1S/C19H16BrCl2N3O2/c1-12-2-4-13(5-3-12)9-25-10-15(20)19(24-25)23-18(26)11-27-17-7-6-14(21)8-16(17)22/h2-8,10H,9,11H2,1H3,(H,23,24,26)
InChIKeyCPWOXODZGOLWMZ-UHFFFAOYSA-N
XLogP5.33
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.17
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 35274937
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(3,4-diethoxyphenyl)acetamide
CID 19394586
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-2-methylphenoxy)methyl]thiophene-2-carboxamide
CID 19486745
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 19394755
2-(2-bromo-4-chlorophenoxy)-N-[(4-methylphenyl)methyl]acetamide
CID 1289065
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-[(4-chlorophenoxy)methyl]benzamide
CID 19394542
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19287286
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2,3,4-trimethoxybenzamide
CID 19394725
2-(2-bromo-4-chlorophenoxy)-N-[4-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
CID 3306540
3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19565700
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-(4-bromopyrazol-1-yl)propanamide
CID 19394618
2-(2,4-dichlorophenoxy)-N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]acetamide
CID 52584664

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide (CID 35274735) is N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide is Cc1ccc(Cn2cc(Br)c(NC(=O)COc3ccc(Cl)cc3Cl)n2)cc1.
What is the InChIKey of N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is CPWOXODZGOLWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrCl2N3O2/c1-12-2-4-13(5-3-12)9-25-10-15(20)19(24-25)23-18(26)11-27-17-7-6-14(21)8-16(17)22/h2-8,10H,9,11H2,1H3,(H,23,24,26).
What are the key properties of N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide?
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 469.17 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 35274735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).