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

C19H16BrCl2N3O2 — CID 35274937

IUPACN-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCc1cccc(Cn2cc(Br)c(NC(=O)COc3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C19H16BrCl2N3O2/c1-12-3-2-4-13(7-12)9-25-10-15(20)19(24-25)23-18(26)11-27-17-6-5-14(21)8-16(17)22/h2-8,10H,9,11H2,1H3,(H,23,24,26)
InChIKeyRGJYEGCOFNEUHP-UHFFFAOYSA-N
MW469.17 g/mol
LogP5.33
Rot. Bonds6

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

N-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 35274937) has the molecular formula C19H16BrCl2N3O2 and a molecular weight of 469.17 g/mol. Its IUPAC name is N-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide
PubChem CID35274937
Molecular FormulaC19H16BrCl2N3O2
Molecular Weight469.17 g/mol
Exact Mass466.98
IUPAC NameN-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide
SMILESCc1cccc(Cn2cc(Br)c(NC(=O)COc3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C19H16BrCl2N3O2/c1-12-3-2-4-13(7-12)9-25-10-15(20)19(24-25)23-18(26)11-27-17-6-5-14(21)8-16(17)22/h2-8,10H,9,11H2,1H3,(H,23,24,26)
InChIKeyRGJYEGCOFNEUHP-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

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Related Compounds

N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide
CID 35274735
N-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19287053
2-(2-bromo-4-chlorophenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39190233
3-[[2-(2,4-dichlorophenoxy)acetyl]amino]-N-(3-methylphenyl)benzamide
CID 11839533
2-(2,4-dichlorophenoxy)-N-[(E)-[1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]acetamide
CID 126001556
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-2-(3,4-diethoxyphenyl)acetamide
CID 19394586
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19274518
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(2,4-dichlorophenoxy)methyl]benzamide
CID 19287286
1-[(2-bromo-4-chlorophenoxy)methyl]-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]pyrazole-3-carboxamide
CID 19274537
2-(2,4-dichlorophenoxy)-N-[(3-methylphenyl)methylideneamino]acetamide
CID 831066
2-[4-[[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500822
N-[4-bromo-1-[(4-methylphenyl)methyl]pyrazol-3-yl]-3-[(4-chlorophenoxy)methyl]benzamide
CID 19394542

Frequently Asked Questions

What is the IUPAC name of N-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide (CID 35274937) is N-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide is Cc1cccc(Cn2cc(Br)c(NC(=O)COc3ccc(Cl)cc3Cl)n2)c1.
What is the InChIKey of N-[4-bromo-1-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is RGJYEGCOFNEUHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrCl2N3O2/c1-12-3-2-4-13(7-12)9-25-10-15(20)19(24-25)23-18(26)11-27-17-6-5-14(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-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide?
N-[4-bromo-1-[(3-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-[(3-methylphenyl)methyl]pyrazol-3-yl]-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 35274937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).