N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide

C19H20Cl2N2O2 — CID 113060167

IUPACN-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(Cl)cc1)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C19H20Cl2N2O2/c1-12-10-13(2)18(17(21)11-12)23(14(3)24)9-8-22-19(25)15-4-6-16(20)7-5-15/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)
InChIKeyNHNJAZJOOBJYTM-UHFFFAOYSA-N
MW379.29 g/mol
LogP4.39
Rot. Bonds5

About N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide

N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide (PubChem CID 113060167) has the molecular formula C19H20Cl2N2O2 and a molecular weight of 379.29 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide
PubChem CID113060167
Molecular FormulaC19H20Cl2N2O2
Molecular Weight379.29 g/mol
Exact Mass378.09
IUPAC NameN-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(Cl)cc1)c1c(C)cc(C)cc1Cl
InChIInChI=1S/C19H20Cl2N2O2/c1-12-10-13(2)18(17(21)11-12)23(14(3)24)9-8-22-19(25)15-4-6-16(20)7-5-15/h4-7,10-11H,8-9H2,1-3H3,(H,22,25)
InChIKeyNHNJAZJOOBJYTM-UHFFFAOYSA-N
XLogP4.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.29
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-3,4-difluorobenzamide
CID 113060172
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-3,4-difluorobenzamide
CID 113058813
N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-2-(4-fluorophenyl)acetamide
CID 113060159
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide
CID 113063724
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060236
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
N-[2-(N-acetyl-4-ethylanilino)ethyl]-4-chlorobenzamide
CID 113058431
N-[2-(N-acetyl-2,4,6-trimethylanilino)ethyl]-2-fluorobenzamide
CID 113058782
3-(N-acetyl-2-chloro-4,6-dimethylanilino)-N-(2-methoxyethyl)propanamide
CID 113128256
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060301
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide
CID 113060070

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide (CID 113060167) is N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide is CC(=O)N(CCNC(=O)c1ccc(Cl)cc1)c1c(C)cc(C)cc1Cl.
What is the InChIKey of N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide?
The InChIKey is NHNJAZJOOBJYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N2O2/c1-12-10-13(2)18(17(21)11-12)23(14(3)24)9-8-22-19(25)15-4-6-16(20)7-5-15/h4-7,10-11H,8-9H2,1-3H3,(H,22,25).
What are the key properties of N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide?
N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide has a molecular weight of 379.29 g/mol, XLogP of 4.39, 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-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide is sourced from PubChem (CID 113060167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).