2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide

C20H23ClN2O3 — CID 113172208

IUPAC2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(C(C)=O)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-14-4-7-17(12-19(14)21)23(15(2)24)13-20(25)22-11-10-16-5-8-18(26-3)9-6-16/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)
InChIKeyHOQDLJORQDKEJG-UHFFFAOYSA-N
MW374.87 g/mol
LogP3.37
Rot. Bonds7

About 2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide

2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 113172208) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID113172208
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)CN(C(C)=O)c2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-14-4-7-17(12-19(14)21)23(15(2)24)13-20(25)22-11-10-16-5-8-18(26-3)9-6-16/h4-9,12H,10-11,13H2,1-3H3,(H,22,25)
InChIKeyHOQDLJORQDKEJG-UHFFFAOYSA-N
XLogP3.37
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-acetyl-3,4-dimethylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113168283
2-(N-acetyl-4-methoxyanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113173533
2-(N-acetyl-3-chloro-4-methylanilino)-N-(2-phenylethyl)acetamide
CID 113172202
N-[2-(N-acetyl-3-chloro-4-methylanilino)ethyl]-2-(4-methoxyphenyl)acetamide
CID 113059999
2-[N-acetyl-4-(diethylamino)anilino]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 113176865
2-(N-acetyl-3-chloro-4-methoxyanilino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 113172682
methyl 3-[acetyl-[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176237
3-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 113128003
2-(N-acetyl-3-chloro-4-methylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113172188
2-(N-acetyl-3-chloro-4-methylanilino)-N-[3-(dimethylamino)propyl]acetamide
CID 113172179
methyl 4-[acetyl-[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl]amino]benzoate
CID 113176399
2-(N-acetyl-4-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113169252

Frequently Asked Questions

What is the IUPAC name of 2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide (CID 113172208) is 2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)CN(C(C)=O)c2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of 2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is HOQDLJORQDKEJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-14-4-7-17(12-19(14)21)23(15(2)24)13-20(25)22-11-10-16-5-8-18(26-3)9-6-16/h4-9,12H,10-11,13H2,1-3H3,(H,22,25).
What are the key properties of 2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide?
2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 374.87 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-acetyl-3-chloro-4-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 113172208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).