2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide

C15H22ClN3O2 — CID 113171843

IUPAC2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCN(C)C)c1cc(Cl)ccc1C
InChIInChI=1S/C15H22ClN3O2/c1-11-5-6-13(16)9-14(11)19(12(2)20)10-15(21)17-7-8-18(3)4/h5-6,9H,7-8,10H2,1-4H3,(H,17,21)
InChIKeyAYNZDOHHZRDXBG-UHFFFAOYSA-N
MW311.81 g/mol
LogP1.68
Rot. Bonds6

About 2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide

2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 113171843) has the molecular formula C15H22ClN3O2 and a molecular weight of 311.81 g/mol. Its IUPAC name is 2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID113171843
Molecular FormulaC15H22ClN3O2
Molecular Weight311.81 g/mol
Exact Mass311.14
IUPAC Name2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
SMILESCC(=O)N(CC(=O)NCCN(C)C)c1cc(Cl)ccc1C
InChIInChI=1S/C15H22ClN3O2/c1-11-5-6-13(16)9-14(11)19(12(2)20)10-15(21)17-7-8-18(3)4/h5-6,9H,7-8,10H2,1-4H3,(H,17,21)
InChIKeyAYNZDOHHZRDXBG-UHFFFAOYSA-N
XLogP1.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.81
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-5-chloro-2-methylanilino)-N-(2-phenylethyl)acetamide
CID 113171868
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide
CID 113059799
2-(N-acetyl-5-chloro-2-methylanilino)-N-[(4-fluorophenyl)methyl]acetamide
CID 113171858
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide
CID 113059796
2-(N-acetyl-5-chloro-2-methylanilino)-N-(4-methylphenyl)acetamide
CID 113171908
2-(N-acetyl-5-chloro-2-methylanilino)-N-(furan-2-ylmethyl)acetamide
CID 113171850
2-(N-acetyl-2,5-dimethylanilino)-N-(4-chloro-2-methylphenyl)acetamide
CID 113168161
2-(N-acetyl-4-chloro-2-methylanilino)-N-pentylacetamide
CID 113172064
2-(N-acetyl-5-chloro-2-methylanilino)-N-[(3,4-dimethoxyphenyl)methyl]acetamide
CID 113171882
2-(4-chloro-2-methylphenyl)-N-[2-(dimethylamino)ethyl]acetamide
CID 67968231
2-(N-acetyl-4-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide
CID 113167666
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-methoxyethyl)propanamide
CID 113127671

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide (CID 113171843) is 2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide is CC(=O)N(CC(=O)NCCN(C)C)c1cc(Cl)ccc1C.
What is the InChIKey of 2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is AYNZDOHHZRDXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O2/c1-11-5-6-13(16)9-14(11)19(12(2)20)10-15(21)17-7-8-18(3)4/h5-6,9H,7-8,10H2,1-4H3,(H,17,21).
What are the key properties of 2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide?
2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 311.81 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-5-chloro-2-methylanilino)-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 113171843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).