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

C11H15ClN2O — CID 94684838

IUPACN-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
SMILESNCCNC(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O/c12-10-3-1-2-9(8-10)4-5-11(15)14-7-6-13/h1-3,8H,4-7,13H2,(H,14,15)
InChIKeyWYWNIBPEPMWQBR-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.35
Rot. Bonds5

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

N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide (PubChem CID 94684838) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
PubChem CID94684838
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC NameN-(2-aminoethyl)-3-(3-chlorophenyl)propanamide
SMILESNCCNC(=O)CCc1cccc(Cl)c1
InChIInChI=1S/C11H15ClN2O/c12-10-3-1-2-9(8-10)4-5-11(15)14-7-6-13/h1-3,8H,4-7,13H2,(H,14,15)
InChIKeyWYWNIBPEPMWQBR-UHFFFAOYSA-N
XLogP1.35
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 1407340
N-(2-aminoethyl)-2-(3-chlorophenyl)acetamide;hydrochloride
CID 119385267
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
N,N'-bis[2-(3-chlorophenyl)ethyl]butanediamide
CID 2166305
N-(2-aminoethyl)-3-(3-bromophenyl)propanamide
CID 94697075
3-(3-chlorophenyl)-N-(3-hydroxy-3-phenylpropyl)propanamide
CID 111472067
3-(3-chlorophenyl)-N-(2-pyridin-2-ylethyl)propanamide
CID 47141858
6-[2-(3-chlorophenyl)ethylamino]-6-oxohexanoic acid
CID 43579976
3-(3-chlorophenyl)-N-(thiophen-3-ylmethyl)propanamide
CID 91624486
N-[2-(3-chlorophenyl)ethyl]-3-cyanopropanamide
CID 94686976
N-[3-(3-chlorophenyl)propyl]pentanamide
CID 10562858
methyl 4-[2-(3-chlorophenyl)ethylamino]-4-oxobutanoate
CID 94696577

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide?
The IUPAC name of N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide (CID 94684838) is N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide.
What is the SMILES notation for N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide?
The canonical SMILES for N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide is NCCNC(=O)CCc1cccc(Cl)c1.
What is the InChIKey of N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide?
The InChIKey is WYWNIBPEPMWQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-10-3-1-2-9(8-10)4-5-11(15)14-7-6-13/h1-3,8H,4-7,13H2,(H,14,15).
What are the key properties of N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide?
N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide has a molecular weight of 226.71 g/mol, XLogP of 1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-(3-chlorophenyl)propanamide is sourced from PubChem (CID 94684838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).