3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide

C19H21ClN2O2 — CID 113127435

IUPAC3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(C(C)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-3-15-4-8-17(9-5-15)21-19(24)12-13-22(14(2)23)18-10-6-16(20)7-11-18/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyOVKXAJDXXIYJTN-UHFFFAOYSA-N
MW344.84 g/mol
LogP4.28
Rot. Bonds6

About 3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide

3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide (PubChem CID 113127435) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is 3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide
PubChem CID113127435
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC Name3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCN(C(C)=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-3-15-4-8-17(9-5-15)21-19(24)12-13-22(14(2)23)18-10-6-16(20)7-11-18/h4-11H,3,12-13H2,1-2H3,(H,21,24)
InChIKeyOVKXAJDXXIYJTN-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-4-(diethylamino)anilino]-N-(4-ethylphenyl)propanamide
CID 113131894
3-(N-acetyl-4-ethylanilino)-N-(4-propan-2-ylphenyl)propanamide
CID 113125426
3-(N-acetyl-4-methoxyanilino)-N-(4-chlorophenyl)propanamide
CID 113129151
3-(N-acetyl-4-ethylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113125417
3-(N-acetyl-4-chloroanilino)-N-(3,4-difluorophenyl)propanamide
CID 113127507
3-(N-acetyl-4-ethylanilino)-N-(2,6-dichlorophenyl)propanamide
CID 113125485
3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113143927
3-(N-acetyl-4-ethylanilino)-N-(2,6-difluorophenyl)propanamide
CID 113125495
3-[acetyl(1,3-benzodioxol-5-yl)amino]-N-(4-chlorophenyl)propanamide
CID 113132915
3-(N-acetyl-4-ethylanilino)-N-(2,4-difluorophenyl)propanamide
CID 113125479
N-[2-(4-acetamido-N-acetylanilino)ethyl]-2-(4-chlorophenyl)acetamide
CID 113061827
3-(N-acetyl-3-chloroanilino)-N-[4-(diethylamino)phenyl]propanamide
CID 113127314

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide?
The IUPAC name of 3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide (CID 113127435) is 3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)CCN(C(C)=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide?
The InChIKey is OVKXAJDXXIYJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-3-15-4-8-17(9-5-15)21-19(24)12-13-22(14(2)23)18-10-6-16(20)7-11-18/h4-11H,3,12-13H2,1-2H3,(H,21,24).
What are the key properties of 3-(N-acetyl-4-chloroanilino)-N-(4-ethylphenyl)propanamide?
3-(N-acetyl-4-chloroanilino)-N-(4-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-4-chloroanilino)-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 113127435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).