N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide

C19H21ClN2O2 — CID 113057694

IUPACN-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1Cl)c1ccc(C)cc1C
InChIInChI=1S/C19H21ClN2O2/c1-13-8-9-18(14(2)12-13)22(15(3)23)11-10-21-19(24)16-6-4-5-7-17(16)20/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyXITZLJQBZORZTK-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.74
Rot. Bonds5

About N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide

N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide (PubChem CID 113057694) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide
PubChem CID113057694
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1Cl)c1ccc(C)cc1C
InChIInChI=1S/C19H21ClN2O2/c1-13-8-9-18(14(2)12-13)22(15(3)23)11-10-21-19(24)16-6-4-5-7-17(16)20/h4-9,12H,10-11H2,1-3H3,(H,21,24)
InChIKeyXITZLJQBZORZTK-UHFFFAOYSA-N
XLogP3.74
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide
CID 113059832
N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide
CID 113063620
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113059896
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide
CID 113059807
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide
CID 113057667
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide
CID 113054251
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113057678
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113057297
N-[2-[N-acetyl-4-(diethylamino)-2-methylanilino]ethyl]-2-fluorobenzamide
CID 113063996
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide
CID 113058782
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide
CID 113059321

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide (CID 113057694) is N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide is CC(=O)N(CCNC(=O)c1ccccc1Cl)c1ccc(C)cc1C.
What is the InChIKey of N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide?
The InChIKey is XITZLJQBZORZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13-8-9-18(14(2)12-13)22(15(3)23)11-10-21-19(24)16-6-4-5-7-17(16)20/h4-9,12H,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide?
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide has a molecular weight of 344.84 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide is sourced from PubChem (CID 113057694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).