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

C18H18Cl2N2O2 — CID 113059832

IUPACN-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1Cl)c1cc(Cl)ccc1C
InChIInChI=1S/C18H18Cl2N2O2/c1-12-7-8-14(19)11-17(12)22(13(2)23)10-9-21-18(24)15-5-3-4-6-16(15)20/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyKYQJGLTUOKNGBC-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.08
Rot. Bonds5

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

N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide (PubChem CID 113059832) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide
PubChem CID113059832
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1Cl)c1cc(Cl)ccc1C
InChIInChI=1S/C18H18Cl2N2O2/c1-12-7-8-14(19)11-17(12)22(13(2)23)10-9-21-18(24)15-5-3-4-6-16(15)20/h3-8,11H,9-10H2,1-2H3,(H,21,24)
InChIKeyKYQJGLTUOKNGBC-UHFFFAOYSA-N
XLogP4.08
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.26
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide
CID 113059807
N-[2-(N-acetyl-2,4-dichloroanilino)ethyl]-2-chlorobenzamide
CID 113063620
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-2-chlorobenzamide
CID 113057694
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113059896
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide
CID 113059811
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylpropanamide
CID 113059796
N-[2-(N-acetyl-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113057297
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-methylbutanamide
CID 113059799
N-[2-[acetyl-[(3-methylphenyl)methyl]amino]ethyl]-2-chlorobenzamide
CID 113054251
N-[2-(N-acetyl-4-fluoroanilino)ethyl]-2-chlorobenzamide
CID 113059321
N-[2-(N-acetyl-2,5-dimethylanilino)ethyl]-2,3,4-trifluorobenzamide
CID 113057810

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide?
The IUPAC name of N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide (CID 113059832) is N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide is CC(=O)N(CCNC(=O)c1ccccc1Cl)c1cc(Cl)ccc1C.
What is the InChIKey of N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide?
The InChIKey is KYQJGLTUOKNGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-12-7-8-14(19)11-17(12)22(13(2)23)10-9-21-18(24)15-5-3-4-6-16(15)20/h3-8,11H,9-10H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide?
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide has a molecular weight of 365.26 g/mol, XLogP of 4.08, 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-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide is sourced from PubChem (CID 113059832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).