2-chloro-N-(2-ethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide

C14H16ClN3O — CID 19604920

IUPAC2-chloro-N-(2-ethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
SMILESCCc1ccccc1N(Cn1cccn1)C(=O)CCl
InChIInChI=1S/C14H16ClN3O/c1-2-12-6-3-4-7-13(12)18(14(19)10-15)11-17-9-5-8-16-17/h3-9H,2,10-11H2,1H3
InChIKeyIGSHWPPJIZMKNH-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.67
Rot. Bonds5

About 2-chloro-N-(2-ethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide

2-chloro-N-(2-ethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide (PubChem CID 19604920) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 2-chloro-N-(2-ethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2-ethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
PubChem CID19604920
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name2-chloro-N-(2-ethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
SMILESCCc1ccccc1N(Cn1cccn1)C(=O)CCl
InChIInChI=1S/C14H16ClN3O/c1-2-12-6-3-4-7-13(12)18(14(19)10-15)11-17-9-5-8-16-17/h3-9H,2,10-11H2,1H3
InChIKeyIGSHWPPJIZMKNH-UHFFFAOYSA-N
XLogP2.67
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-methylphenyl)-N-(pyrazol-1-ylmethyl)propanamide
CID 19805763
N-(2-ethyl-6-methylphenyl)-N-(pyrazol-1-ylmethyl)acetamide
CID 70498647
N-(acetamidomethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide;2-chloro-N-(2,6-dimethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
CID 67899906
N-(3-chloro-2,6-diethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide;hydrochloride
CID 70467726
2-chloro-N-(2,6-diethylphenyl)-N-ethylacetamide
CID 163807844
2-chloro-N-[4-(dimethylamino)-6-hexoxypyrimidin-5-yl]-N-(pyrazol-1-ylmethyl)acetamide
CID 70462051
2-[2,6-dimethyl-N-(pyrazol-1-ylmethyl)anilino]-2-oxoacetic acid
CID 86290103
N-(2,6-dimethylphenyl)-2-[(S)-methylsulfinyl]-N-(pyrazol-1-ylmethyl)acetamide
CID 95705929
2-[methyl-[2-(pyrazol-1-ylmethyl)benzoyl]amino]propanoic acid
CID 119358577
2-chloro-N-(2,6-dimethylphenyl)-N-[(4-methylpyrazol-1-yl)methyl]acetamide
CID 13324365
2-chloro-N-(2-fluorophenyl)-N-[(2-methylphenyl)methyl]acetamide
CID 39398782
N-[2-(2-ethylanilino)-2-oxoethyl]-N-methyl-3-pyrazol-1-ylpropanamide
CID 86979939

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-ethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide?
The IUPAC name of 2-chloro-N-(2-ethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide (CID 19604920) is 2-chloro-N-(2-ethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2-ethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2-ethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide is CCc1ccccc1N(Cn1cccn1)C(=O)CCl.
What is the InChIKey of 2-chloro-N-(2-ethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide?
The InChIKey is IGSHWPPJIZMKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c1-2-12-6-3-4-7-13(12)18(14(19)10-15)11-17-9-5-8-16-17/h3-9H,2,10-11H2,1H3.
What are the key properties of 2-chloro-N-(2-ethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide?
2-chloro-N-(2-ethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide has a molecular weight of 277.75 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-ethylphenyl)-N-(pyrazol-1-ylmethyl)acetamide is sourced from PubChem (CID 19604920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).