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

C11H16Cl2N2O — CID 119385148

IUPACN-(2-aminoethyl)-2-(3-chlorophenyl)propanamide;hydrochloride
SMILESCC(C(=O)NCCN)c1cccc(Cl)c1.Cl
InChIInChI=1S/C11H15ClN2O.ClH/c1-8(11(15)14-6-5-13)9-3-2-4-10(12)7-9;/h2-4,7-8H,5-6,13H2,1H3,(H,14,15);1H
InChIKeyRFACAALITNAWLG-UHFFFAOYSA-N
MW263.17 g/mol
LogP1.94
Rot. Bonds4

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

N-(2-aminoethyl)-2-(3-chlorophenyl)propanamide;hydrochloride (PubChem CID 119385148) has the molecular formula C11H16Cl2N2O and a molecular weight of 263.17 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(3-chlorophenyl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(3-chlorophenyl)propanamide;hydrochloride
PubChem CID119385148
Molecular FormulaC11H16Cl2N2O
Molecular Weight263.17 g/mol
Exact Mass262.06
IUPAC NameN-(2-aminoethyl)-2-(3-chlorophenyl)propanamide;hydrochloride
SMILESCC(C(=O)NCCN)c1cccc(Cl)c1.Cl
InChIInChI=1S/C11H15ClN2O.ClH/c1-8(11(15)14-6-5-13)9-3-2-4-10(12)7-9;/h2-4,7-8H,5-6,13H2,1H3,(H,14,15);1H
InChIKeyRFACAALITNAWLG-UHFFFAOYSA-N
XLogP1.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 167839767
3-amino-N-[1-(3-chlorophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
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(2S)-N-(2-aminoethyl)-2-[(3-chlorophenyl)methyl]-3-sulfanylpropanamide
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4-amino-N-[(3-chlorophenyl)methyl]-2-methylbutanamide
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2-amino-N-[(1S)-1-(3-chlorophenyl)ethyl]propanamide
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2-chloro-N-[1-(3-chlorophenyl)ethyl]acetamide
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2-(3-chlorophenyl)-N-[2-(ethylaminomethyl)phenyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(3-chlorophenyl)propanamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-(3-chlorophenyl)propanamide;hydrochloride (CID 119385148) is N-(2-aminoethyl)-2-(3-chlorophenyl)propanamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-(3-chlorophenyl)propanamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-(3-chlorophenyl)propanamide;hydrochloride is CC(C(=O)NCCN)c1cccc(Cl)c1.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-(3-chlorophenyl)propanamide;hydrochloride?
The InChIKey is RFACAALITNAWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O.ClH/c1-8(11(15)14-6-5-13)9-3-2-4-10(12)7-9;/h2-4,7-8H,5-6,13H2,1H3,(H,14,15);1H.
What are the key properties of N-(2-aminoethyl)-2-(3-chlorophenyl)propanamide;hydrochloride?
N-(2-aminoethyl)-2-(3-chlorophenyl)propanamide;hydrochloride has a molecular weight of 263.17 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(3-chlorophenyl)propanamide;hydrochloride is sourced from PubChem (CID 119385148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).