2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide

C19H18ClNO2 — CID 86992179

IUPAC2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide
SMILESCc1cc(OCC(=O)NCC#Cc2ccccc2)cc(C)c1Cl
InChIInChI=1S/C19H18ClNO2/c1-14-11-17(12-15(2)19(14)20)23-13-18(22)21-10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12H,10,13H2,1-2H3,(H,21,22)
InChIKeyRVDDSDQQUZFQGG-UHFFFAOYSA-N
MW327.81 g/mol
LogP3.50
Rot. Bonds4

About 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide

2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide (PubChem CID 86992179) has the molecular formula C19H18ClNO2 and a molecular weight of 327.81 g/mol. Its IUPAC name is 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide
PubChem CID86992179
Molecular FormulaC19H18ClNO2
Molecular Weight327.81 g/mol
Exact Mass327.10
IUPAC Name2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide
SMILESCc1cc(OCC(=O)NCC#Cc2ccccc2)cc(C)c1Cl
InChIInChI=1S/C19H18ClNO2/c1-14-11-17(12-15(2)19(14)20)23-13-18(22)21-10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12H,10,13H2,1-2H3,(H,21,22)
InChIKeyRVDDSDQQUZFQGG-UHFFFAOYSA-N
XLogP3.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.81
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-phenylacetamide
CID 918181
2-(4-chloro-3,5-dimethylphenoxy)-N-(2-phenylpropyl)acetamide
CID 133164501
N-(3-phenylprop-2-ynyl)-2-(4-propanoylphenoxy)acetamide
CID 51326556
N-[2-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 108541249
4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
CID 90549800
2-(4-chloro-3,5-dimethylphenoxy)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 4958111
N-[3-(4-methoxyphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90548986
1-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]-3-phenylurea
CID 732370
N,N-dimethyl-4-[3-[(2-phenoxyacetyl)amino]prop-1-ynyl]benzamide
CID 90550076
2-amino-N-(3-phenylprop-2-ynyl)acetamide
CID 112687685
2-(4-chloro-3,5-dimethylphenoxy)-N-(1,1,3,3-tetraoxo-1λ6,3λ6,2-benzodithiazol-2-yl)acetamide
CID 23936308
N-[3-(4-acetylphenyl)prop-2-ynyl]-2-(2-methylphenoxy)acetamide
CID 90549535

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide?
The IUPAC name of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide (CID 86992179) is 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide.
What is the SMILES notation for 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide?
The canonical SMILES for 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide is Cc1cc(OCC(=O)NCC#Cc2ccccc2)cc(C)c1Cl.
What is the InChIKey of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide?
The InChIKey is RVDDSDQQUZFQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClNO2/c1-14-11-17(12-15(2)19(14)20)23-13-18(22)21-10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-12H,10,13H2,1-2H3,(H,21,22).
What are the key properties of 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide?
2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide has a molecular weight of 327.81 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3,5-dimethylphenoxy)-N-(3-phenylprop-2-ynyl)acetamide is sourced from PubChem (CID 86992179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).