2-chloro-N-(2-pyridin-2-ylethyl)propanamide

C10H13ClN2O — CID 24692533

IUPAC2-chloro-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(Cl)C(=O)NCCc1ccccn1
InChIInChI=1S/C10H13ClN2O/c1-8(11)10(14)13-7-5-9-4-2-3-6-12-9/h2-4,6,8H,5,7H2,1H3,(H,13,14)
InChIKeyKPDYTBZVVHLHOX-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.37
Rot. Bonds4

About 2-chloro-N-(2-pyridin-2-ylethyl)propanamide

2-chloro-N-(2-pyridin-2-ylethyl)propanamide (PubChem CID 24692533) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is 2-chloro-N-(2-pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(2-pyridin-2-ylethyl)propanamide
PubChem CID24692533
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC Name2-chloro-N-(2-pyridin-2-ylethyl)propanamide
SMILESCC(Cl)C(=O)NCCc1ccccn1
InChIInChI=1S/C10H13ClN2O/c1-8(11)10(14)13-7-5-9-4-2-3-6-12-9/h2-4,6,8H,5,7H2,1H3,(H,13,14)
InChIKeyKPDYTBZVVHLHOX-UHFFFAOYSA-N
XLogP1.37
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631
(2R)-2-methylsulfonyl-N-(2-pyridin-2-ylethyl)propanamide
CID 94025060
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
1-(1-phenylethyl)-3-(2-pyridin-2-ylethyl)urea
CID 47134004
(2R)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943722
(2S)-N-(2-pyridin-2-ylethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943721
N-[1-oxo-1-(2-pyridin-2-ylethylamino)propan-2-yl]thiophene-2-carboxamide
CID 51301332
(2R)-2-(3-chlorophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
CID 31528376
3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide
CID 126840803
2-(4-bromophenoxy)-N-(2-pyridin-2-ylethyl)propanamide
CID 51164070

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2-pyridin-2-ylethyl)propanamide?
The IUPAC name of 2-chloro-N-(2-pyridin-2-ylethyl)propanamide (CID 24692533) is 2-chloro-N-(2-pyridin-2-ylethyl)propanamide.
What is the SMILES notation for 2-chloro-N-(2-pyridin-2-ylethyl)propanamide?
The canonical SMILES for 2-chloro-N-(2-pyridin-2-ylethyl)propanamide is CC(Cl)C(=O)NCCc1ccccn1.
What is the InChIKey of 2-chloro-N-(2-pyridin-2-ylethyl)propanamide?
The InChIKey is KPDYTBZVVHLHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-8(11)10(14)13-7-5-9-4-2-3-6-12-9/h2-4,6,8H,5,7H2,1H3,(H,13,14).
What are the key properties of 2-chloro-N-(2-pyridin-2-ylethyl)propanamide?
2-chloro-N-(2-pyridin-2-ylethyl)propanamide has a molecular weight of 212.68 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2-pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 24692533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).