3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide

C18H21ClN2O2 — CID 109036116

IUPAC3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCNc1ccc(OC)c(Cl)c1
InChIInChI=1S/C18H21ClN2O2/c1-3-13-6-4-5-7-16(13)21-18(22)10-11-20-14-8-9-17(23-2)15(19)12-14/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyNHIXPVBNTZKSSI-UHFFFAOYSA-N
MW332.83 g/mol
LogP4.35
Rot. Bonds7

About 3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide

3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide (PubChem CID 109036116) has the molecular formula C18H21ClN2O2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide
PubChem CID109036116
Molecular FormulaC18H21ClN2O2
Molecular Weight332.83 g/mol
Exact Mass332.13
IUPAC Name3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide
SMILESCCc1ccccc1NC(=O)CCNc1ccc(OC)c(Cl)c1
InChIInChI=1S/C18H21ClN2O2/c1-3-13-6-4-5-7-16(13)21-18(22)10-11-20-14-8-9-17(23-2)15(19)12-14/h4-9,12,20H,3,10-11H2,1-2H3,(H,21,22)
InChIKeyNHIXPVBNTZKSSI-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
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-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethylanilino)propanamide
CID 109036248
3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109037877
N-(3-chloro-4-methoxyphenyl)-3-(3-chloro-4-methylanilino)propanamide
CID 109038668
N-(3-chloro-4-methoxyphenyl)-3-(3,4-dimethylanilino)propanamide
CID 109035530
3-(2-tert-butylanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109037309
methyl 2-[[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109038974
3-(3-chloro-4-methoxyanilino)-N-(4-ethoxyphenyl)propanamide
CID 109039023
3-(3-chloro-4-methoxyphenyl)sulfonyl-N-(2-ethylphenyl)propanamide
CID 110418654
methyl 4-[3-(3-chloro-4-methoxyanilino)propanoylamino]benzoate
CID 109039039
ethyl 2-[[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]amino]benzoate
CID 109039007
methyl 4-[[3-(2-ethylanilino)-3-oxopropyl]amino]benzoate
CID 109036138
3-(3-chloro-4-fluoroanilino)-N-(5-chloro-2-methoxyphenyl)propanamide
CID 109038796

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide?
The IUPAC name of 3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide (CID 109036116) is 3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide is CCc1ccccc1NC(=O)CCNc1ccc(OC)c(Cl)c1.
What is the InChIKey of 3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide?
The InChIKey is NHIXPVBNTZKSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O2/c1-3-13-6-4-5-7-16(13)21-18(22)10-11-20-14-8-9-17(23-2)15(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-(2-ethylphenyl)propanamide?
3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide has a molecular weight of 332.83 g/mol, XLogP of 4.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyanilino)-N-(2-ethylphenyl)propanamide is sourced from PubChem (CID 109036116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).