N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide

C18H18Cl2N2O2 — CID 113063724

IUPACN-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-12-3-5-14(6-4-12)18(24)21-7-8-22(13(2)23)17-10-15(19)9-16(20)11-17/h3-6,9-11H,7-8H2,1-2H3,(H,21,24)
InChIKeyBZLRZYZACLSPPC-UHFFFAOYSA-N
MW365.26 g/mol
LogP4.08
Rot. Bonds5

About N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide

N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide (PubChem CID 113063724) has the molecular formula C18H18Cl2N2O2 and a molecular weight of 365.26 g/mol. Its IUPAC name is N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide
PubChem CID113063724
Molecular FormulaC18H18Cl2N2O2
Molecular Weight365.26 g/mol
Exact Mass364.07
IUPAC NameN-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide
SMILESCC(=O)N(CCNC(=O)c1ccc(C)cc1)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H18Cl2N2O2/c1-12-3-5-14(6-4-12)18(24)21-7-8-22(13(2)23)17-10-15(19)9-16(20)11-17/h3-6,9-11H,7-8H2,1-2H3,(H,21,24)
InChIKeyBZLRZYZACLSPPC-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

methyl 4-[acetyl-[2-[(4-methylbenzoyl)amino]ethyl]amino]benzoate
CID 113062028
N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
CID 113059514
N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide
CID 113057996
N-[2-[acetyl(1,3-benzodioxol-5-yl)amino]ethyl]-4-methylbenzamide
CID 113062950
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-2-methylpropanamide
CID 113063711
N-[2-(N-acetyl-2-chloro-4,6-dimethylanilino)ethyl]-4-chlorobenzamide
CID 113060167
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-3,5-dichloroanilino)ethyl]-2,2-dimethylpropanamide
CID 113063717
N-[2-(N-acetyl-3-chloro-4-fluoroanilino)ethyl]-4-fluorobenzamide
CID 113060070
N-[2-[N-acetyl-4-(trifluoromethyl)anilino]ethyl]-4-chlorobenzamide
CID 113061512
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-fluorobenzamide
CID 113057546

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide?
The IUPAC name of N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide (CID 113063724) is N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide?
The canonical SMILES for N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide is CC(=O)N(CCNC(=O)c1ccc(C)cc1)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide?
The InChIKey is BZLRZYZACLSPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O2/c1-12-3-5-14(6-4-12)18(24)21-7-8-22(13(2)23)17-10-15(19)9-16(20)11-17/h3-6,9-11H,7-8H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide?
N-[2-(N-acetyl-3,5-dichloroanilino)ethyl]-4-methylbenzamide 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-3,5-dichloroanilino)ethyl]-4-methylbenzamide is sourced from PubChem (CID 113063724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).