2-(3-chloro-4-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

C15H21ClN2O — CID 55437543

IUPAC2-(3-chloro-4-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CNc1ccc(C)c(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-5-18(10-11(2)3)15(19)9-17-13-7-6-12(4)14(16)8-13/h6-8,17H,2,5,9-10H2,1,3-4H3
InChIKeyHHNZULMQIFQIIM-UHFFFAOYSA-N
MW280.80 g/mol
LogP3.48
Rot. Bonds6

About 2-(3-chloro-4-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide

2-(3-chloro-4-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide (PubChem CID 55437543) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 2-(3-chloro-4-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-4-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
PubChem CID55437543
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name2-(3-chloro-4-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
SMILESC=C(C)CN(CC)C(=O)CNc1ccc(C)c(Cl)c1
InChIInChI=1S/C15H21ClN2O/c1-5-18(10-11(2)3)15(19)9-17-13-7-6-12(4)14(16)8-13/h6-8,17H,2,5,9-10H2,1,3-4H3
InChIKeyHHNZULMQIFQIIM-UHFFFAOYSA-N
XLogP3.48
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide
CID 134031279
2-(4-bromo-2-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 55439320
3,4-dichloro-N-[2-[ethyl(2-methylprop-2-enyl)amino]-2-oxoethyl]benzamide
CID 86908282
2-(3-chloro-4-methylanilino)acetohydrazide
CID 865656
2-(3-chloroanilino)-N,N-diethylacetamide
CID 28580548
2-(3,5-dichloroanilino)-N,N-diethylacetamide
CID 28576153
2-(3-chloro-4-methylanilino)-N-[4-(diethylamino)-2-methylphenyl]acetamide
CID 109008653
2-(4-chloroanilino)-N-(3-chloro-4-methylphenyl)acetamide
CID 9098971
3-(3-chloro-4-fluoroanilino)-N,N-diethylpropanamide
CID 109030627
2-(3-acetyl-4-aminoanilino)-N,N-diethylacetamide
CID 104613106
3-(3-chloro-4-methylphenyl)-1-ethyl-1-(3-hydroxypropyl)urea
CID 115662904
N,N-diethyl-2-(4-hydroxyanilino)acetamide
CID 11806273

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The IUPAC name of 2-(3-chloro-4-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide (CID 55437543) is 2-(3-chloro-4-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide.
What is the SMILES notation for 2-(3-chloro-4-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The canonical SMILES for 2-(3-chloro-4-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide is C=C(C)CN(CC)C(=O)CNc1ccc(C)c(Cl)c1.
What is the InChIKey of 2-(3-chloro-4-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
The InChIKey is HHNZULMQIFQIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O/c1-5-18(10-11(2)3)15(19)9-17-13-7-6-12(4)14(16)8-13/h6-8,17H,2,5,9-10H2,1,3-4H3.
What are the key properties of 2-(3-chloro-4-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide?
2-(3-chloro-4-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide has a molecular weight of 280.80 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylanilino)-N-ethyl-N-(2-methylprop-2-enyl)acetamide is sourced from PubChem (CID 55437543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).