N-(4-acetamidophenyl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methylpropanamide

C21H21ClN4O3 — CID 100829390

IUPACN-(4-acetamidophenyl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2Cl)cc1
InChIInChI=1S/C21H21ClN4O3/c1-14(27)23-15-9-11-16(12-10-15)24-20(28)21(2,3)29-19-18(22)13-26(25-19)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,23,27)(H,24,28)
InChIKeyJHLFITBGCQXHNM-UHFFFAOYSA-N
MW412.88 g/mol
LogP4.28
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methylpropanamide

N-(4-acetamidophenyl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methylpropanamide (PubChem CID 100829390) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methylpropanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methylpropanamide
PubChem CID100829390
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC NameN-(4-acetamidophenyl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methylpropanamide
SMILESCC(=O)Nc1ccc(NC(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2Cl)cc1
InChIInChI=1S/C21H21ClN4O3/c1-14(27)23-15-9-11-16(12-10-15)24-20(28)21(2,3)29-19-18(22)13-26(25-19)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,23,27)(H,24,28)
InChIKeyJHLFITBGCQXHNM-UHFFFAOYSA-N
XLogP4.28
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methylpropanamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methylpropanamide (CID 100829390) is N-(4-acetamidophenyl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methylpropanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methylpropanamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methylpropanamide is CC(=O)Nc1ccc(NC(=O)C(C)(C)Oc2nn(-c3ccccc3)cc2Cl)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methylpropanamide?
The InChIKey is JHLFITBGCQXHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c1-14(27)23-15-9-11-16(12-10-15)24-20(28)21(2,3)29-19-18(22)13-26(25-19)17-7-5-4-6-8-17/h4-13H,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N-(4-acetamidophenyl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methylpropanamide?
N-(4-acetamidophenyl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methylpropanamide has a molecular weight of 412.88 g/mol, XLogP of 4.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(4-chloro-1-phenylpyrazol-3-yl)oxy-2-methylpropanamide is sourced from PubChem (CID 100829390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).