3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide

C19H21ClN2O2 — CID 113127100

IUPAC3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN(C(C)=O)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-3-15-8-4-6-10-17(15)21-19(24)12-13-22(14(2)23)18-11-7-5-9-16(18)20/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyBEBKANGKIOSFLI-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.28
Rot. Bonds6

About 3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide

3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide (PubChem CID 113127100) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide
PubChem CID113127100
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCN(C(C)=O)c1ccccc1Cl
InChIInChI=1S/C19H21ClN2O2/c1-3-15-8-4-6-10-17(15)21-19(24)12-13-22(14(2)23)18-11-7-5-9-16(18)20/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyBEBKANGKIOSFLI-UHFFFAOYSA-N
XLogP4.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-2-chloroanilino)-N-(2-ethyl-6-methylphenyl)propanamide
CID 113127103
3-(N-acetyl-2-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113128790
3-(N-acetyl-5-chloro-2-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113127741
3-(N-acetyl-2,3-dichloroanilino)-N-(2-chlorophenyl)propanamide
CID 113134341
3-(N-acetyl-4-chloro-2-methoxy-5-methylanilino)-N-(2-ethylphenyl)propanamide
CID 113134472
ethyl 2-[acetyl-[3-(2-ethylanilino)-3-oxopropyl]amino]benzoate
CID 113134619
3-(N-acetyl-3-chloro-2-methylanilino)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 113127626
3-(N-acetyl-2-ethylanilino)-N-(3-chlorophenyl)propanamide
CID 113125262
3-(N-acetyl-2-methylanilino)-N-(2-methylphenyl)propanamide
CID 113123619
3-(N-acetyl-4-ethoxyanilino)-N-(2-ethylphenyl)propanamide
CID 113129456
3-(N-acetyl-2-chloroanilino)-N-prop-2-enylpropanamide
CID 113127011
3-[N-acetyl-4-(diethylamino)anilino]-N-(2-chlorophenyl)propanamide
CID 113131902

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide (CID 113127100) is 3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide is CCc1ccccc1NC(=O)CCN(C(C)=O)c1ccccc1Cl.
What is the InChIKey of 3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide?
The InChIKey is BEBKANGKIOSFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-3-15-8-4-6-10-17(15)21-19(24)12-13-22(14(2)23)18-11-7-5-9-16(18)20/h4-11H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of 3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide?
3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide has a molecular weight of 344.84 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-2-chloroanilino)-N-(2-ethylphenyl)propanamide is sourced from PubChem (CID 113127100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).