N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide

C18H14BrClFN3O — CID 27831482

IUPACN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1ccnn1Cc1ccc(Br)cc1
InChIInChI=1S/C18H14BrClFN3O/c19-13-6-4-12(5-7-13)11-24-17(8-9-22-24)23-18(25)10-14-15(20)2-1-3-16(14)21/h1-9H,10-11H2,(H,23,25)
InChIKeyJBHZFSCLBRPHSV-UHFFFAOYSA-N
MW422.69 g/mol
LogP4.67
Rot. Bonds5

About N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide (PubChem CID 27831482) has the molecular formula C18H14BrClFN3O and a molecular weight of 422.69 g/mol. Its IUPAC name is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide
PubChem CID27831482
Molecular FormulaC18H14BrClFN3O
Molecular Weight422.69 g/mol
Exact Mass421.00
IUPAC NameN-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide
SMILESO=C(Cc1c(F)cccc1Cl)Nc1ccnn1Cc1ccc(Br)cc1
InChIInChI=1S/C18H14BrClFN3O/c19-13-6-4-12(5-7-13)11-24-17(8-9-22-24)23-18(25)10-14-15(20)2-1-3-16(14)21/h1-9H,10-11H2,(H,23,25)
InChIKeyJBHZFSCLBRPHSV-UHFFFAOYSA-N
XLogP4.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.69
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 16564232
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylacetamide
CID 24525234
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 24525272
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 16564265
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]propanamide
CID 86907615
2-(4-bromophenyl)-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]acetamide
CID 78806526
2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 8819868
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-chlorobenzamide
CID 7504732
1-(4-bromophenyl)-3-(2-chloro-6-fluorophenyl)propan-2-one
CID 61496199
4-amino-N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]pentanamide
CID 120559345
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-hydroxyphenoxy)acetamide
CID 78813776
N-(2-benzylpyrazol-3-yl)-2-(4-bromophenoxy)acetamide
CID 7589903

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide?
The IUPAC name of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide (CID 27831482) is N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide?
The canonical SMILES for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide is O=C(Cc1c(F)cccc1Cl)Nc1ccnn1Cc1ccc(Br)cc1.
What is the InChIKey of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide?
The InChIKey is JBHZFSCLBRPHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrClFN3O/c19-13-6-4-12(5-7-13)11-24-17(8-9-22-24)23-18(25)10-14-15(20)2-1-3-16(14)21/h1-9H,10-11H2,(H,23,25).
What are the key properties of N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide?
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide has a molecular weight of 422.69 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(2-chloro-6-fluorophenyl)acetamide is sourced from PubChem (CID 27831482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).