3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide

C11H15ClN2O — CID 94684846

IUPAC3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
SMILESNCCC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C11H15ClN2O/c12-10-4-2-1-3-9(10)6-8-14-11(15)5-7-13/h1-4H,5-8,13H2,(H,14,15)
InChIKeyUCTILPRCDFDQEB-UHFFFAOYSA-N
MW226.71 g/mol
LogP1.35
Rot. Bonds5

About 3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide

3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide (PubChem CID 94684846) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
PubChem CID94684846
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
SMILESNCCC(=O)NCCc1ccccc1Cl
InChIInChI=1S/C11H15ClN2O/c12-10-4-2-1-3-9(10)6-8-14-11(15)5-7-13/h1-4H,5-8,13H2,(H,14,15)
InChIKeyUCTILPRCDFDQEB-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

4-amino-N-[2-(2-chlorophenyl)ethyl]butanamide;hydrochloride
CID 44818079
N-(3-aminopropyl)-3-(2-chlorophenyl)propanamide
CID 94687820
N'-(3-aminopropanoyl)-3-(2-chlorophenyl)propanehydrazide
CID 94279919
N-(2-aminoethyl)-2-(2-chlorophenyl)acetamide
CID 12841728
N-[2-(2-chlorophenyl)ethyl]-2-isocyanoacetamide
CID 108814900
3-amino-N-[2-(2-chloro-4-methoxyphenyl)ethyl]propanamide
CID 115153007
(2S)-2-amino-N-[2-(2-chlorophenyl)ethyl]propanamide
CID 94684847
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-chlorophenyl)ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 90008849
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149
N-[3-(2-chlorophenyl)propyl]-3-(2,4-dichlorophenyl)propanamide
CID 100608161
N-(4-acetamidobutyl)-4-(2-chlorophenyl)butanamide
CID 110609861
4-(2-chlorophenyl)-N-[2-(2-hydroxyphenyl)ethyl]-4-oxobutanamide
CID 110614901

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide (CID 94684846) is 3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide is NCCC(=O)NCCc1ccccc1Cl.
What is the InChIKey of 3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide?
The InChIKey is UCTILPRCDFDQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O/c12-10-4-2-1-3-9(10)6-8-14-11(15)5-7-13/h1-4H,5-8,13H2,(H,14,15).
What are the key properties of 3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide?
3-amino-N-[2-(2-chlorophenyl)ethyl]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 3-amino-N-[2-(2-chlorophenyl)ethyl]propanamide is sourced from PubChem (CID 94684846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).