2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide

C20H23ClN2O2 — CID 113171988

IUPAC2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CN(C(C)=O)c1cc(Cl)ccc1C)c1cccc(C)c1
InChIInChI=1S/C20H23ClN2O2/c1-5-22(18-8-6-7-14(2)11-18)20(25)13-23(16(4)24)19-12-17(21)10-9-15(19)3/h6-12H,5,13H2,1-4H3
InChIKeyNJQKLGLNIPKTDB-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.36
Rot. Bonds5

About 2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide

2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 113171988) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID113171988
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CN(C(C)=O)c1cc(Cl)ccc1C)c1cccc(C)c1
InChIInChI=1S/C20H23ClN2O2/c1-5-22(18-8-6-7-14(2)11-18)20(25)13-23(16(4)24)19-12-17(21)10-9-15(19)3/h6-12H,5,13H2,1-4H3
InChIKeyNJQKLGLNIPKTDB-UHFFFAOYSA-N
XLogP4.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645
2-(N-acetyl-3-chloro-4-fluoroanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113172485
2-(N-acetyl-3,4-dichloroanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113179532
2-[N-acetyl-4-(diethylamino)-2-methylanilino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 113180492
3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
2-(4-chloro-2-methylphenoxy)-N-ethyl-N-(3-methylphenyl)acetamide
CID 112978898
methyl 4-[acetyl-[2-(N-ethyl-3-methylanilino)-2-oxoethyl]amino]benzoate
CID 113176496
3-(N-acetyl-2,4-dimethylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113124282
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127653
3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113134364
2-(N-acetyl-3-methylanilino)-N,N-dipropylacetamide
CID 113167538

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide (CID 113171988) is 2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)CN(C(C)=O)c1cc(Cl)ccc1C)c1cccc(C)c1.
What is the InChIKey of 2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is NJQKLGLNIPKTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-5-22(18-8-6-7-14(2)11-18)20(25)13-23(16(4)24)19-12-17(21)10-9-15(19)3/h6-12H,5,13H2,1-4H3.
What are the key properties of 2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide?
2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 358.87 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-5-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 113171988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).