2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide

C13H19ClN2O — CID 67968231

IUPAC2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCc1cc(Cl)ccc1CC(=O)NCCN(C)C
InChIInChI=1S/C13H19ClN2O/c1-10-8-12(14)5-4-11(10)9-13(17)15-6-7-16(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyBZJWTIOXKWGVAS-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.87
Rot. Bonds5

About 2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide

2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 67968231) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID67968231
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCc1cc(Cl)ccc1CC(=O)NCCN(C)C
InChIInChI=1S/C13H19ClN2O/c1-10-8-12(14)5-4-11(10)9-13(17)15-6-7-16(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,15,17)
InChIKeyBZJWTIOXKWGVAS-UHFFFAOYSA-N
XLogP1.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chloro-2-methylphenyl)-N-ethylacetamide
CID 142912369
2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 67968197
3-(4-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 109016265
2-(5-chloro-2-methoxy-3-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110769441
2-(2,5-difluorophenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 141306049
2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113171843
N-tert-butyl-2-(4-chloro-2-methylphenyl)acetamide
CID 67968196
(4-chloro-2-methylphenyl)methylcarbamic acid
CID 68522575
N-(2-aminoethyl)-2-(2,4-dimethylphenyl)acetamide
CID 82283351
2-(4-chloro-2-methylphenyl)-N-propan-2-ylacetamide
CID 171546068
N-[(4-chloro-2-methylphenyl)methyl]acetamide
CID 67968204
2-(3,5-dichloro-2-methoxyphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 110769515

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide (CID 67968231) is 2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide is Cc1cc(Cl)ccc1CC(=O)NCCN(C)C.
What is the InChIKey of 2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is BZJWTIOXKWGVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10-8-12(14)5-4-11(10)9-13(17)15-6-7-16(2)3/h4-5,8H,6-7,9H2,1-3H3,(H,15,17).
What are the key properties of 2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide?
2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 254.76 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 67968231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).