N-[3-[1-(2-chloro-4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide

C17H13ClFN3O — CID 154687532

IUPACN-[3-[1-(2-chloro-4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnn(-c3ccc(F)cc3Cl)c2)c1
InChIInChI=1S/C17H13ClFN3O/c1-11(23)21-15-4-2-3-12(7-15)13-9-20-22(10-13)17-6-5-14(19)8-16(17)18/h2-10H,1H3,(H,21,23)
InChIKeyYVOOCQVAIZBUKN-UHFFFAOYSA-N
MW329.76 g/mol
LogP4.29
Rot. Bonds3

About N-[3-[1-(2-chloro-4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide

N-[3-[1-(2-chloro-4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide (PubChem CID 154687532) has the molecular formula C17H13ClFN3O and a molecular weight of 329.76 g/mol. Its IUPAC name is N-[3-[1-(2-chloro-4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-(2-chloro-4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide
PubChem CID154687532
Molecular FormulaC17H13ClFN3O
Molecular Weight329.76 g/mol
Exact Mass329.07
IUPAC NameN-[3-[1-(2-chloro-4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2cnn(-c3ccc(F)cc3Cl)c2)c1
InChIInChI=1S/C17H13ClFN3O/c1-11(23)21-15-4-2-3-12(7-15)13-9-20-22(10-13)17-6-5-14(19)8-16(17)18/h2-10H,1H3,(H,21,23)
InChIKeyYVOOCQVAIZBUKN-UHFFFAOYSA-N
XLogP4.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[1-(4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide
CID 154687564
N-[1-(2-chlorophenyl)pyrazol-4-yl]-5-fluoro-2-methylbenzamide
CID 86896466
N-[3-[1-(2-methoxyethyl)pyrazol-4-yl]phenyl]acetamide
CID 154687718
N-[3-(1-methylpyrazol-4-yl)phenyl]-3-oxobutanamide
CID 110477397
N-[4-(4-fluoropyrazol-1-yl)-3-sulfamoylphenyl]acetamide
CID 151538876
1-(4-acetyl-2-chlorophenyl)pyrazole-4-carboxamide
CID 64782909
methyl N-[3-(1-methylpyrazol-4-yl)phenyl]carbamate
CID 110477766
5-(3-acetamidophenyl)pyridine-2-carboxylic acid
CID 50998543
N-(3-acetamidophenyl)-2-(2-chloro-4-fluorophenoxy)acetamide
CID 17172943
N-[1-(2,4-dichlorophenyl)pyrazol-4-yl]-2-hydroxypropanamide
CID 122145027
N-[3-(2,3,5,6-tetrafluoro-4-pyridinyl)phenyl]acetamide
CID 71003917
acetic acid;1,2-dichloro-4-fluorobenzene
CID 174538740

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(2-chloro-4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide?
The IUPAC name of N-[3-[1-(2-chloro-4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide (CID 154687532) is N-[3-[1-(2-chloro-4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-(2-chloro-4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-(2-chloro-4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2cnn(-c3ccc(F)cc3Cl)c2)c1.
What is the InChIKey of N-[3-[1-(2-chloro-4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide?
The InChIKey is YVOOCQVAIZBUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O/c1-11(23)21-15-4-2-3-12(7-15)13-9-20-22(10-13)17-6-5-14(19)8-16(17)18/h2-10H,1H3,(H,21,23).
What are the key properties of N-[3-[1-(2-chloro-4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide?
N-[3-[1-(2-chloro-4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide has a molecular weight of 329.76 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(2-chloro-4-fluorophenyl)pyrazol-4-yl]phenyl]acetamide is sourced from PubChem (CID 154687532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).