3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide

C18H21ClN2O3 — CID 109039023

IUPAC3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCNc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O3/c1-3-24-15-7-4-13(5-8-15)21-18(22)10-11-20-14-6-9-17(23-2)16(19)12-14/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyBWZMVZGBLRUFOU-UHFFFAOYSA-N
MW348.83 g/mol
LogP4.19
Rot. Bonds8

About 3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide

3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide (PubChem CID 109039023) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide
PubChem CID109039023
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCNc2ccc(OC)c(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O3/c1-3-24-15-7-4-13(5-8-15)21-18(22)10-11-20-14-6-9-17(23-2)16(19)12-14/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyBWZMVZGBLRUFOU-UHFFFAOYSA-N
XLogP4.19
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 54.19
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

methyl 4-[3-(3-chloro-4-methoxyanilino)propanoylamino]benzoate
CID 109039039
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
N-(3-chloro-4-methoxyphenyl)-2-(4-ethoxyphenyl)acetamide
CID 26823011
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109038619
3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109038041
N-(3-chloro-4-methoxyphenyl)-3-(2,4-dimethoxyanilino)propanamide
CID 109038965
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-4-ethoxybenzamide
CID 8014586
N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylanilino)propanamide
CID 109036911
3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039909
3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide
CID 109036116
ethyl 3-(3-chloro-4-methoxyanilino)propanoate
CID 43174181

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide (CID 109039023) is 3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCNc2ccc(OC)c(Cl)c2)cc1.
What is the InChIKey of 3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide?
The InChIKey is BWZMVZGBLRUFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-3-24-15-7-4-13(5-8-15)21-18(22)10-11-20-14-6-9-17(23-2)16(19)12-14/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22).
What are the key properties of 3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide?
3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide has a molecular weight of 348.83 g/mol, XLogP of 4.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 109039023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).