N-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide

C17H19ClN2O2 — CID 109037963

IUPACN-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide
SMILESCCOc1ccccc1NCCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O2/c1-2-22-16-9-4-3-8-15(16)19-11-10-17(21)20-14-7-5-6-13(18)12-14/h3-9,12,19H,2,10-11H2,1H3,(H,20,21)
InChIKeyIKOISLHUULJZRB-UHFFFAOYSA-N
MW318.80 g/mol
LogP4.18
Rot. Bonds7

About N-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide

N-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide (PubChem CID 109037963) has the molecular formula C17H19ClN2O2 and a molecular weight of 318.80 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide
PubChem CID109037963
Molecular FormulaC17H19ClN2O2
Molecular Weight318.80 g/mol
Exact Mass318.11
IUPAC NameN-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide
SMILESCCOc1ccccc1NCCC(=O)Nc1cccc(Cl)c1
InChIInChI=1S/C17H19ClN2O2/c1-2-22-16-9-4-3-8-15(16)19-11-10-17(21)20-14-7-5-6-13(18)12-14/h3-9,12,19H,2,10-11H2,1H3,(H,20,21)
InChIKeyIKOISLHUULJZRB-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

3-(2-ethoxyanilino)-N-[3-(trifluoromethyl)phenyl]propanamide
CID 109039807
1-N-(3-chlorophenyl)-4-N-(2-ethoxyphenyl)benzene-1,4-dicarboxamide
CID 109049963
3-(3-chloroanilino)-N-(4-ethoxyphenyl)propanamide
CID 109038041
3-(2-ethoxyanilino)-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109039839
2-N-(3-chlorophenyl)-1-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109142878
3-(3-chloroanilino)-N-phenylpropanamide
CID 109033817
3-(4-chloro-2-methoxy-5-methylanilino)-N-(3-chlorophenyl)propanamide
CID 109038015
N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]hexanamide
CID 54817487
2-(2-ethoxyanilino)-N-(3-ethoxyphenyl)acetamide
CID 54817200
methyl 4-chloro-3-[[3-(3-chloroanilino)-3-oxopropyl]amino]benzoate
CID 109037981
1-[2-(3-chlorophenyl)ethyl]-3-(2-ethoxyphenyl)urea
CID 17283504
N-[3-[[2-(2-ethoxyanilino)acetyl]amino]phenyl]-2-methylpropanamide
CID 54817227

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide (CID 109037963) is N-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide is CCOc1ccccc1NCCC(=O)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide?
The InChIKey is IKOISLHUULJZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O2/c1-2-22-16-9-4-3-8-15(16)19-11-10-17(21)20-14-7-5-6-13(18)12-14/h3-9,12,19H,2,10-11H2,1H3,(H,20,21).
What are the key properties of N-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide?
N-(3-chlorophenyl)-3-(2-ethoxyanilino)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 N-(3-chlorophenyl)-3-(2-ethoxyanilino)propanamide is sourced from PubChem (CID 109037963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).