N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide

C19H21ClN2O3 — CID 113060774

IUPACN-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide
SMILESCCOc1ccccc1N(CCNC(=O)c1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C19H21ClN2O3/c1-3-25-18-7-5-4-6-17(18)22(14(2)23)13-12-21-19(24)15-8-10-16(20)11-9-15/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyJHIQQTLLWWVZAP-UHFFFAOYSA-N
MW360.84 g/mol
LogP3.52
Rot. Bonds7

About N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide

N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide (PubChem CID 113060774) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide.

Molecular Properties

Compound NameN-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide
PubChem CID113060774
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC NameN-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide
SMILESCCOc1ccccc1N(CCNC(=O)c1ccc(Cl)cc1)C(C)=O
InChIInChI=1S/C19H21ClN2O3/c1-3-25-18-7-5-4-6-17(18)22(14(2)23)13-12-21-19(24)15-8-10-16(20)11-9-15/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyJHIQQTLLWWVZAP-UHFFFAOYSA-N
XLogP3.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-3,4-dichlorobenzamide
CID 113060757
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-2-methylpropanamide
CID 113060736
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]furan-2-carboxamide
CID 113060744
N-(2-ethoxyphenyl)-N-[2-(phenylcarbamoylamino)ethyl]acetamide
CID 113060788
N-[2-(N-acetyl-2-methoxyanilino)ethyl]-4-tert-butylbenzamide
CID 113060452
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]-4-chlorobenzamide
CID 113060301
N-[2-(N-acetyl-2-phenoxyanilino)ethyl]benzamide
CID 113063434
N-[2-(N-acetyl-4-chloroanilino)ethyl]benzamide
CID 113059617
N-[2-(N-acetyl-4-chloro-2-methylanilino)ethyl]benzamide
CID 113059892
N-[2-(N-acetyl-5-chloro-2-methoxyanilino)ethyl]benzamide
CID 113060279
N-[2-(cyclohexylcarbamoylamino)ethyl]-N-(2-ethoxyphenyl)acetamide
CID 113060789
N-[2-(N-acetyl-2-chloroanilino)ethyl]-3,4-dimethoxybenzamide
CID 113059429

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide?
The IUPAC name of N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide (CID 113060774) is N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide.
What is the SMILES notation for N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide?
The canonical SMILES for N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide is CCOc1ccccc1N(CCNC(=O)c1ccc(Cl)cc1)C(C)=O.
What is the InChIKey of N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide?
The InChIKey is JHIQQTLLWWVZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-3-25-18-7-5-4-6-17(18)22(14(2)23)13-12-21-19(24)15-8-10-16(20)11-9-15/h4-11H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide?
N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide has a molecular weight of 360.84 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-acetyl-2-ethoxyanilino)ethyl]-4-chlorobenzamide is sourced from PubChem (CID 113060774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).