N-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide

C13H16ClNO — CID 115636641

IUPACN-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide
SMILESC=C(Cl)CNC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C13H16ClNO/c1-9-4-5-12(6-10(9)2)7-13(16)15-8-11(3)14/h4-6H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyPLVZWOWFIFOAOG-UHFFFAOYSA-N
MW237.73 g/mol
LogP2.71
Rot. Bonds4

About N-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide

N-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide (PubChem CID 115636641) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide
PubChem CID115636641
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC NameN-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide
SMILESC=C(Cl)CNC(=O)Cc1ccc(C)c(C)c1
InChIInChI=1S/C13H16ClNO/c1-9-4-5-12(6-10(9)2)7-13(16)15-8-11(3)14/h4-6H,3,7-8H2,1-2H3,(H,15,16)
InChIKeyPLVZWOWFIFOAOG-UHFFFAOYSA-N
XLogP2.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[[2-(3,4-dimethylphenyl)acetyl]amino]acetic acid
CID 60657051
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(3,4-dimethylphenyl)acetamide
CID 7676831
N-(2-chloroprop-2-enyl)-2-(4-sulfanylphenyl)acetamide
CID 107035066
N-[(4-bromophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 62537978
2-(4-butylphenyl)-N-(2-chloroprop-2-enyl)acetamide
CID 113238577
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 2679540
N-[(4-chlorocyclohexyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 106133406
N,2-bis(3,4-dimethylphenyl)acetamide
CID 2600237
2-(3,4-dimethylphenyl)-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]acetamide
CID 18118941
N-(2-amino-2-ethylbutyl)-2-(3,4-dimethylphenyl)acetamide
CID 81484732
2-(3,4-dimethylphenyl)-N-[2-(2-hydroxypropylamino)ethyl]acetamide
CID 104593635
2-(3,4-dimethylphenyl)-N-(3-methylcyclopentyl)acetamide
CID 114550146

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide?
The IUPAC name of N-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide (CID 115636641) is N-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for N-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide is C=C(Cl)CNC(=O)Cc1ccc(C)c(C)c1.
What is the InChIKey of N-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide?
The InChIKey is PLVZWOWFIFOAOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-9-4-5-12(6-10(9)2)7-13(16)15-8-11(3)14/h4-6H,3,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide?
N-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide has a molecular weight of 237.73 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-2-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 115636641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).