3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide

C20H23ClN2O2 — CID 113127594

IUPAC3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCN(C(C)=O)c1cccc(Cl)c1C)c1ccccc1
InChIInChI=1S/C20H23ClN2O2/c1-4-22(17-9-6-5-7-10-17)20(25)13-14-23(16(3)24)19-12-8-11-18(21)15(19)2/h5-12H,4,13-14H2,1-3H3
InChIKeyFCBZSKSBOGZMOM-UHFFFAOYSA-N
MW358.87 g/mol
LogP4.44
Rot. Bonds6

About 3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide

3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide (PubChem CID 113127594) has the molecular formula C20H23ClN2O2 and a molecular weight of 358.87 g/mol. Its IUPAC name is 3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide
PubChem CID113127594
Molecular FormulaC20H23ClN2O2
Molecular Weight358.87 g/mol
Exact Mass358.14
IUPAC Name3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCN(C(C)=O)c1cccc(Cl)c1C)c1ccccc1
InChIInChI=1S/C20H23ClN2O2/c1-4-22(17-9-6-5-7-10-17)20(25)13-14-23(16(3)24)19-12-8-11-18(21)15(19)2/h5-12H,4,13-14H2,1-3H3
InChIKeyFCBZSKSBOGZMOM-UHFFFAOYSA-N
XLogP4.44
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127653
3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide
CID 113134013
3-(N-acetyl-2,3-dichloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113134364
3-(N-acetyl-3-chloro-2-methylanilino)-N-butyl-N-methylpropanamide
CID 113127573
3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide
CID 113126202
3-amino-N-(3-chloro-2-methylphenyl)-N-ethylpropanamide
CID 28795362
3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide
CID 113128426
3-(N-acetyl-2-ethoxyanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113129365
3-(N-acetyl-2-chloroanilino)-N-benzyl-N-ethylpropanamide
CID 113127046
ethyl 2-[acetyl-[3-(N-ethyl-3-methylanilino)-3-oxopropyl]amino]benzoate
CID 113134647
N-[2-(N-acetyl-3-chloro-2-methylanilino)ethyl]acetamide
CID 113059707

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide?
The IUPAC name of 3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide (CID 113127594) is 3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide?
The canonical SMILES for 3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide is CCN(C(=O)CCN(C(C)=O)c1cccc(Cl)c1C)c1ccccc1.
What is the InChIKey of 3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide?
The InChIKey is FCBZSKSBOGZMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O2/c1-4-22(17-9-6-5-7-10-17)20(25)13-14-23(16(3)24)19-12-8-11-18(21)15(19)2/h5-12H,4,13-14H2,1-3H3.
What are the key properties of 3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide?
3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide has a molecular weight of 358.87 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 113127594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).