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

C9H11ClN2O — CID 22692042

IUPAC3-amino-N-(2-chlorophenyl)propanamide
SMILESNCCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C9H11ClN2O/c10-7-3-1-2-4-8(7)12-9(13)5-6-11/h1-4H,5-6,11H2,(H,12,13)
InChIKeyXQLGIVXEZLIFRK-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.63
Rot. Bonds3

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

3-amino-N-(2-chlorophenyl)propanamide (PubChem CID 22692042) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 3-amino-N-(2-chlorophenyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(2-chlorophenyl)propanamide
PubChem CID22692042
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name3-amino-N-(2-chlorophenyl)propanamide
SMILESNCCC(=O)Nc1ccccc1Cl
InChIInChI=1S/C9H11ClN2O/c10-7-3-1-2-4-8(7)12-9(13)5-6-11/h1-4H,5-6,11H2,(H,12,13)
InChIKeyXQLGIVXEZLIFRK-UHFFFAOYSA-N
XLogP1.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-(2-chlorophenyl)acetamide;hydrochloride
CID 51051964
N-[2-(3-aminopropanoylamino)phenyl]-2-chlorobenzamide
CID 92944462
3-amino-N-(3-chloro-2-fluorophenyl)propanamide
CID 28969296
N-(2-chlorophenyl)hexanamide
CID 4644560
N-(2-chlorophenyl)-2-sulfanylacetamide
CID 679489
N-(2-chlorophenyl)-3-(2-fluorophenyl)propanamide
CID 9401009
3-amino-N-(3-chloro-2-methoxyphenyl)propanamide
CID 119280772
N-(2-chlorophenyl)-3-methylsulfonylpropanamide
CID 47160250
N-(2-chlorophenyl)octanamide
CID 2292983
N-(2-chlorophenyl)-3-(ethylamino)propanamide
CID 62832290
2-(3-aminopropoxy)-N-(2-chlorophenyl)acetamide
CID 62344023
2-(3-aminopropanoylamino)benzamide
CID 22692052

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chlorophenyl)propanamide?
The IUPAC name of 3-amino-N-(2-chlorophenyl)propanamide (CID 22692042) is 3-amino-N-(2-chlorophenyl)propanamide.
What is the SMILES notation for 3-amino-N-(2-chlorophenyl)propanamide?
The canonical SMILES for 3-amino-N-(2-chlorophenyl)propanamide is NCCC(=O)Nc1ccccc1Cl.
What is the InChIKey of 3-amino-N-(2-chlorophenyl)propanamide?
The InChIKey is XQLGIVXEZLIFRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c10-7-3-1-2-4-8(7)12-9(13)5-6-11/h1-4H,5-6,11H2,(H,12,13).
What are the key properties of 3-amino-N-(2-chlorophenyl)propanamide?
3-amino-N-(2-chlorophenyl)propanamide has a molecular weight of 198.65 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chlorophenyl)propanamide is sourced from PubChem (CID 22692042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).