3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide

C20H23ClN2O3 — CID 113128426

IUPAC3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCN(C(C)=O)c1ccc(OC)c(Cl)c1)c1ccccc1
InChIInChI=1S/C20H23ClN2O3/c1-4-22(16-8-6-5-7-9-16)20(25)12-13-23(15(2)24)17-10-11-19(26-3)18(21)14-17/h5-11,14H,4,12-13H2,1-3H3
InChIKeyMQPYAERNDWAELV-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.14
Rot. Bonds7

About 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide

3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide (PubChem CID 113128426) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide.

Molecular Properties

Compound Name3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide
PubChem CID113128426
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide
SMILESCCN(C(=O)CCN(C(C)=O)c1ccc(OC)c(Cl)c1)c1ccccc1
InChIInChI=1S/C20H23ClN2O3/c1-4-22(16-8-6-5-7-9-16)20(25)12-13-23(15(2)24)17-10-11-19(26-3)18(21)14-17/h5-11,14H,4,12-13H2,1-3H3
InChIKeyMQPYAERNDWAELV-UHFFFAOYSA-N
XLogP4.14
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(N-acetyl-2,4-dimethoxyanilino)-N-ethyl-N-phenylpropanamide
CID 113130135
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-ethyl-N-phenylpropanamide
CID 110418941
3-(N-acetyl-4-chloroanilino)-N-ethyl-N-(3-methylphenyl)propanamide
CID 113127504
3-(N-acetyl-2,5-dichloroanilino)-N-ethyl-N-phenylpropanamide
CID 113134013
3-(N-acetyl-3,4-dichloroanilino)-N-methyl-N-phenylpropanamide
CID 113133788
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113128397
3-(N-acetyl-3-chloro-2-methylanilino)-N-ethyl-N-phenylpropanamide
CID 113127594
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-(2-methylpropyl)propanamide
CID 113128357
N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113060257
N-[2-(N-acetyl-3-chloro-4-methoxyanilino)ethyl]-2-phenoxyacetamide
CID 113060232
3-(3-chloro-4-methoxyphenyl)-1-ethyl-1-phenylurea
CID 108991522
3-(N-acetyl-2,6-diethylanilino)-N-ethyl-N-phenylpropanamide
CID 113126202

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide?
The IUPAC name of 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide (CID 113128426) is 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide.
What is the SMILES notation for 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide?
The canonical SMILES for 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide is CCN(C(=O)CCN(C(C)=O)c1ccc(OC)c(Cl)c1)c1ccccc1.
What is the InChIKey of 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide?
The InChIKey is MQPYAERNDWAELV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-4-22(16-8-6-5-7-9-16)20(25)12-13-23(15(2)24)17-10-11-19(26-3)18(21)14-17/h5-11,14H,4,12-13H2,1-3H3.
What are the key properties of 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide?
3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide has a molecular weight of 374.87 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-3-chloro-4-methoxyanilino)-N-ethyl-N-phenylpropanamide is sourced from PubChem (CID 113128426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).