N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide

C18H19ClN2O2 — CID 113059892

IUPACN-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1)c1ccc(Cl)cc1C
InChIInChI=1S/C18H19ClN2O2/c1-13-12-16(19)8-9-17(13)21(14(2)22)11-10-20-18(23)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyKDNGPRZGHLWYFP-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.43
Rot. Bonds5

About N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide

N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide (PubChem CID 113059892) has the molecular formula C18H19ClN2O2 and a molecular weight of 330.82 g/mol. Its IUPAC name is N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
PubChem CID113059892
Molecular FormulaC18H19ClN2O2
Molecular Weight330.82 g/mol
Exact Mass330.11
IUPAC NameN-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
SMILESCC(=O)N(CCNC(=O)c1ccccc1)c1ccc(Cl)cc1C
InChIInChI=1S/C18H19ClN2O2/c1-13-12-16(19)8-9-17(13)21(14(2)22)11-10-20-18(23)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyKDNGPRZGHLWYFP-UHFFFAOYSA-N
XLogP3.43
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-2-fluorobenzamide
CID 113059896
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]-3,5-dimethoxybenzamide
CID 113059902
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]thiophene-2-carboxamide
CID 113059891
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide
CID 113060279
N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
CID 113059514
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-3-fluorobenzamide
CID 113059811
N-[2-(N-acetyl-2,4-dimethylanilino)ethyl]-3-methylbenzamide
CID 113057667
ethyl N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]carbamate
CID 113059937
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-methylbenzamide
CID 113059807
N-[2-(N-acetyl-5-chloro-2-methylanilino)ethyl]-2-chlorobenzamide
CID 113059832
N-[2-(N-acetyl-2,3-dichloroanilino)ethyl]benzamide
CID 113063841

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide?
The IUPAC name of N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide (CID 113059892) is N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide.
What is the SMILES notation for N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide?
The canonical SMILES for N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide is CC(=O)N(CCNC(=O)c1ccccc1)c1ccc(Cl)cc1C.
What is the InChIKey of N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide?
The InChIKey is KDNGPRZGHLWYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O2/c1-13-12-16(19)8-9-17(13)21(14(2)22)11-10-20-18(23)15-6-4-3-5-7-15/h3-9,12H,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide?
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide has a molecular weight of 330.82 g/mol, XLogP of 3.43, 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-4-chloro-2-methylanilino)ethyl]benzamide is sourced from PubChem (CID 113059892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).