2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide

C14H16ClN3O2 — CID 7638240

IUPAC2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H16ClN3O2/c1-14(2,20-11-6-4-10(15)5-7-11)13(19)16-12-8-9-18(3)17-12/h4-9H,1-3H3,(H,16,17,19)
InChIKeyCXWSHACIUQLUPN-UHFFFAOYSA-N
MW293.75 g/mol
LogP2.87
Rot. Bonds4

About 2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide

2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide (PubChem CID 7638240) has the molecular formula C14H16ClN3O2 and a molecular weight of 293.75 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
PubChem CID7638240
Molecular FormulaC14H16ClN3O2
Molecular Weight293.75 g/mol
Exact Mass293.09
IUPAC Name2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide
SMILESCn1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H16ClN3O2/c1-14(2,20-11-6-4-10(15)5-7-11)13(19)16-12-8-9-18(3)17-12/h4-9H,1-3H3,(H,16,17,19)
InChIKeyCXWSHACIUQLUPN-UHFFFAOYSA-N
XLogP2.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-(4-bromophenoxy)-N-(5-chloro-2-pyridinyl)-2-methylpropanamide
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1-[2-(4-chlorophenoxy)propyl]-3-(1-methylpyrazol-3-yl)urea
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2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
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2-(4-chlorophenoxy)-N-[(2,5-dimethylpyrazol-3-yl)methyl]-2-methylpropanamide
CID 171673968
2-(4-chlorophenoxy)-2-methyl-N-(2-methylphenyl)propanamide
CID 2184934
2-(4-chlorophenoxy)-2-methyl-N-[4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]phenyl]propanamide
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2-(4-chlorophenoxy)-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-2-methylpropanamide
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2-(4-chlorophenoxy)-2-methylpropanoate
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4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide
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CID 79779586

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide?
The IUPAC name of 2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide (CID 7638240) is 2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide is Cn1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide?
The InChIKey is CXWSHACIUQLUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2/c1-14(2,20-11-6-4-10(15)5-7-11)13(19)16-12-8-9-18(3)17-12/h4-9H,1-3H3,(H,16,17,19).
What are the key properties of 2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide?
2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide has a molecular weight of 293.75 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-2-methyl-N-(1-methylpyrazol-3-yl)propanamide is sourced from PubChem (CID 7638240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).