N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide

C18H21ClN2O2 — CID 109038619

IUPACN-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide
SMILESCCOc1ccc(NCCC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-3-23-16-8-6-14(7-9-16)20-11-10-18(22)21-15-5-4-13(2)17(19)12-15/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyJSQHFDIWEVSLJU-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.49
Rot. Bonds7

About N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide

N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide (PubChem CID 109038619) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide
PubChem CID109038619
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide
SMILESCCOc1ccc(NCCC(=O)Nc2ccc(C)c(Cl)c2)cc1
InChIInChI=1S/C18H21ClN2O2/c1-3-23-16-8-6-14(7-9-16)20-11-10-18(22)21-15-5-4-13(2)17(19)12-15/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyJSQHFDIWEVSLJU-UHFFFAOYSA-N
XLogP4.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.83
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035452
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyphenyl)propanamide
CID 19226053
3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039023
N-(2,4-dichlorophenyl)-3-(4-ethoxyanilino)propanamide
CID 109039968
N-(3-chloro-4-fluorophenyl)-2-(4-ethoxyanilino)acetamide
CID 54811423
N-(2,4-dimethylphenyl)-3-(4-ethoxyanilino)propanamide
CID 109035105
3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109038041
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
1-(3-chloro-4-methylphenyl)-3-[(4-ethoxyphenoxy)methyl]urea
CID 108890615
3-(2,6-dichloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039909
3-(4-acetylanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039871
N-(3,4-dichlorophenyl)-3-(4-methoxyanilino)propanamide
CID 109039718

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide (CID 109038619) is N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide is CCOc1ccc(NCCC(=O)Nc2ccc(C)c(Cl)c2)cc1.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide?
The InChIKey is JSQHFDIWEVSLJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-3-23-16-8-6-14(7-9-16)20-11-10-18(22)21-15-5-4-13(2)17(19)12-15/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide?
N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide has a molecular weight of 332.83 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(4-ethoxyanilino)propanamide is sourced from PubChem (CID 109038619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).