3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide

C17H19ClN2O2 — CID 109038041

IUPAC3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCNc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-2-22-16-8-6-14(7-9-16)20-17(21)10-11-19-15-5-3-4-13(18)12-15/h3-9,12,19H,2,10-11H2,1H3,(H,20,21)
InChIKeyMVLWXVLXJIBRDM-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.18
Rot. Bonds7

About 3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide

3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide (PubChem CID 109038041) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is 3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
PubChem CID109038041
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC Name3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCNc2cccc(Cl)c2)cc1
InChIInChI=1S/C17H19ClN2O2/c1-2-22-16-8-6-14(7-9-16)20-17(21)10-11-19-15-5-3-4-13(18)12-15/h3-9,12,19H,2,10-11H2,1H3,(H,20,21)
InChIKeyMVLWXVLXJIBRDM-UHFFFAOYSA-N
XLogP4.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Diamfenetide
CID 37384
Acetamide, N-(3-chloro-4-methoxyphenyl)-
CID 23474
N,N'-bis(5-chloro-2-methoxyphenyl)propanediamide
CID 2386166
N-(5-chloro-2-methoxyphenyl)-3-morpholin-4-ylpropanamide
CID 567615
N1-(4-{2-[4-(acetylamino)phenoxy]ethoxy}phenyl)acetamide
CID 1809594
Acetamide, N-(4-(3-(4-phenyl-1-piperazinyl)propoxy)phenyl)-
CID 3033717
1-(2,6-Dichlorophenyl)-3-[4-[2-(diethylamino)ethoxy]phenyl]urea
CID 71625599
1-(4-Chlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea
CID 71625710
1-(3,5-Dichlorophenyl)-3-[4-(3-piperidin-1-ylpropoxy)phenyl]urea
CID 71625711
N-(3-chloro-4-methoxyphenyl)-2-phenoxyacetamide
CID 838230
1-allyl-N-(3-chloro-4-methoxyphenyl)-2-oxo-1,2-dihydro-3-pyridinecarboxamide
CID 1486111
N-(4-ethoxyphenyl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 631854

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide (CID 109038041) is 3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCNc2cccc(Cl)c2)cc1.
What is the InChIKey of 3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide?
The InChIKey is MVLWXVLXJIBRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-2-22-16-8-6-14(7-9-16)20-17(21)10-11-19-15-5-3-4-13(18)12-15/h3-9,12,19H,2,10-11H2,1H3,(H,20,21).
What are the key properties of 3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide?
3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide has a molecular weight of 318.80 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 109038041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).