N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide

C19H23ClN2O3 — CID 109033246

IUPACN-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide
SMILESCOc1ccc(NCCC(=O)NCCc2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C19H23ClN2O3/c1-24-16-6-7-17(18(13-16)25-2)21-11-9-19(23)22-10-8-14-4-3-5-15(20)12-14/h3-7,12-13,21H,8-11H2,1-2H3,(H,22,23)
InChIKeyPBYOWACCQRUOHV-UHFFFAOYSA-N
MW362.86 g/mol
LogP3.52
Rot. Bonds9

About N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide

N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide (PubChem CID 109033246) has the molecular formula C19H23ClN2O3 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide
PubChem CID109033246
Molecular FormulaC19H23ClN2O3
Molecular Weight362.86 g/mol
Exact Mass362.14
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide
SMILESCOc1ccc(NCCC(=O)NCCc2cccc(Cl)c2)c(OC)c1
InChIInChI=1S/C19H23ClN2O3/c1-24-16-6-7-17(18(13-16)25-2)21-11-9-19(23)22-10-8-14-4-3-5-15(20)12-14/h3-7,12-13,21H,8-11H2,1-2H3,(H,22,23)
InChIKeyPBYOWACCQRUOHV-UHFFFAOYSA-N
XLogP3.52
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-chlorophenyl)ethyl]-3-(3,4-dimethoxyanilino)propanamide
CID 109033247
N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide
CID 109027954
3-(3-chloroanilino)-N-(2,4-dimethoxyphenyl)propanamide
CID 109038046
N-[2-(3-chlorophenyl)ethyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 86996000
3-(2,4-dimethylanilino)-N-[2-(3-methoxyphenyl)ethyl]propanamide
CID 109025525
N-[2-(3-chlorophenyl)ethyl]-3-(4-ethoxyanilino)propanamide
CID 109033241
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-difluoroanilino)propanamide
CID 109033275
3-(5-chloro-2-methoxyanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 47824686
3-(5-chloro-2-methylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 109025804
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
CID 94696577
3-(4-chloro-2-methylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide
CID 109027769

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide (CID 109033246) is N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide is COc1ccc(NCCC(=O)NCCc2cccc(Cl)c2)c(OC)c1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide?
The InChIKey is PBYOWACCQRUOHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3/c1-24-16-6-7-17(18(13-16)25-2)21-11-9-19(23)22-10-8-14-4-3-5-15(20)12-14/h3-7,12-13,21H,8-11H2,1-2H3,(H,22,23).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide?
N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide has a molecular weight of 362.86 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-3-(2,4-dimethoxyanilino)propanamide is sourced from PubChem (CID 109033246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).