N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide

C18H19ClN2O3 — CID 113060279

IUPACN-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1N(CCNC(=O)c1ccccc1)C(C)=O
InChIInChI=1S/C18H19ClN2O3/c1-13(22)21(16-12-15(19)8-9-17(16)24-2)11-10-20-18(23)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyVUUQQMAZAIELFI-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.13
Rot. Bonds6

About N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide

N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide (PubChem CID 113060279) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide
PubChem CID113060279
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC NameN-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide
SMILESCOc1ccc(Cl)cc1N(CCNC(=O)c1ccccc1)C(C)=O
InChIInChI=1S/C18H19ClN2O3/c1-13(22)21(16-12-15(19)8-9-17(16)24-2)11-10-20-18(23)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,23)
InChIKeyVUUQQMAZAIELFI-UHFFFAOYSA-N
XLogP3.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060301
N-[2-(N-acetyl-4-chloro-2,5-dimethoxyanilino)ethyl]benzamide
CID 113063901
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
ethyl N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]carbamate
CID 113060315
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113059429
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]pentanamide
CID 113060271
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
N-(5-chloro-2-methoxyphenyl)-N-[2-(cyclopropylcarbamoylamino)ethyl]acetamide
CID 113060320
N-[2-(N-acetyl-3-chloroanilino)ethyl]benzamide
CID 113059514
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060236
N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide
CID 113060452
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide
CID 113060774

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide?
The IUPAC name of N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide (CID 113060279) is N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide.
What is the SMILES notation for N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide?
The canonical SMILES for N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide is COc1ccc(Cl)cc1N(CCNC(=O)c1ccccc1)C(C)=O.
What is the InChIKey of N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide?
The InChIKey is VUUQQMAZAIELFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-13(22)21(16-12-15(19)8-9-17(16)24-2)11-10-20-18(23)14-6-4-3-5-7-14/h3-9,12H,10-11H2,1-2H3,(H,20,23).
What are the key properties of N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide?
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide has a molecular weight of 346.81 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide is sourced from PubChem (CID 113060279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).