N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide

C18H19ClN2O2 — CID 54824696

IUPACN-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-3-10-23-17-7-5-4-6-16(17)20-12-18(22)21-14-9-8-13(2)15(19)11-14/h3-9,11,20H,1,10,12H2,2H3,(H,21,22)
InChIKeyKUEGADWQYWANRP-UHFFFAOYSA-N
MW330.82 g/mol
LogP4.26
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide

N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide (PubChem CID 54824696) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide
PubChem CID54824696
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide
SMILESC=CCOc1ccccc1NCC(=O)Nc1ccc(C)c(Cl)c1
InChIInChI=1S/C18H19ClN2O2/c1-3-10-23-17-7-5-4-6-16(17)20-12-18(22)21-14-9-8-13(2)15(19)11-14/h3-9,11,20H,1,10,12H2,2H3,(H,21,22)
InChIKeyKUEGADWQYWANRP-UHFFFAOYSA-N
XLogP4.26
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-(2-methoxyanilino)acetamide
CID 9080460
2-(3-chloro-4-methoxyanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54819132
N-methyl-4-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824363
2-chloro-N-cyclohexyl-5-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824326
N-(3-chloro-4-methylphenyl)-N'-[(2-prop-2-enoxyphenyl)methylideneamino]propanediamide
CID 3959543
2-(4-chloroanilino)-N-(2-prop-2-enoxyphenyl)acetamide
CID 54810176
2-(2-prop-2-enoxyanilino)-N-(3-propoxyphenyl)acetamide
CID 54824256
N-[4-(2-phenoxyethoxy)phenyl]-2-(2-prop-2-enoxyanilino)acetamide
CID 54824592
3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]-N-propylbenzamide
CID 54824294
N-propan-2-yl-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824529
N-(2-methoxyethyl)-3-[[2-(2-prop-2-enoxyanilino)acetyl]amino]benzamide
CID 54824260
2-(2-butoxyanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54828034

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide (CID 54824696) is N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide is C=CCOc1ccccc1NCC(=O)Nc1ccc(C)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide?
The InChIKey is KUEGADWQYWANRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-3-10-23-17-7-5-4-6-16(17)20-12-18(22)21-14-9-8-13(2)15(19)11-14/h3-9,11,20H,1,10,12H2,2H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide?
N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide has a molecular weight of 330.82 g/mol, XLogP of 4.26, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-2-(2-prop-2-enoxyanilino)acetamide is sourced from PubChem (CID 54824696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).