2-chloro-N-pyridin-2-ylpropanamide

C8H9ClN2O — CID 16789014

IUPAC2-chloro-N-pyridin-2-ylpropanamide
SMILESCC(Cl)C(=O)Nc1ccccn1
InChIInChI=1S/C8H9ClN2O/c1-6(9)8(12)11-7-4-2-3-5-10-7/h2-6H,1H3,(H,10,11,12)
InChIKeyCGOIKYFFLOPCNZ-UHFFFAOYSA-N
MW184.63 g/mol
LogP1.65
Rot. Bonds2

About 2-chloro-N-pyridin-2-ylpropanamide

2-chloro-N-pyridin-2-ylpropanamide (PubChem CID 16789014) has the molecular formula C8H9ClN2O and a molecular weight of 184.63 g/mol. Its IUPAC name is 2-chloro-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name2-chloro-N-pyridin-2-ylpropanamide
PubChem CID16789014
Molecular FormulaC8H9ClN2O
Molecular Weight184.63 g/mol
Exact Mass184.04
IUPAC Name2-chloro-N-pyridin-2-ylpropanamide
SMILESCC(Cl)C(=O)Nc1ccccn1
InChIInChI=1S/C8H9ClN2O/c1-6(9)8(12)11-7-4-2-3-5-10-7/h2-6H,1H3,(H,10,11,12)
InChIKeyCGOIKYFFLOPCNZ-UHFFFAOYSA-N
XLogP1.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.63
LogP ≤ 51.65
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

2-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 71300028
2-(diethylamino)-N-pyridin-2-ylpropanamide
CID 131880299
2,4-dihydroxy-3,3-dimethyl-N-pyridin-2-ylbutanamide
CID 119095301
2-(4-chlorophenoxy)-N-pyridin-2-ylpropanamide
CID 51193962
(2S,3S)-2-amino-3-methyl-N-pyridin-2-ylpentanamide;dihydrochloride
CID 139893651
2,2-bis[di(propan-2-yloxy)phosphoryl]-N-pyridin-2-ylacetamide
CID 54282175
(2R)-2-(3-chlorophenoxy)-N-pyridin-2-ylpropanamide
CID 40533142
2-chloro-N-(1-pyridin-2-ylethyl)propanamide
CID 43523379
N-[(2R)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide
CID 970702
N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide
CID 970701
2-(methylaminomethyl)-N-pyridin-2-ylbutanamide
CID 115188762
N,N'-dipyridin-2-ylbutanediamide
CID 3684644

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pyridin-2-ylpropanamide?
The IUPAC name of 2-chloro-N-pyridin-2-ylpropanamide (CID 16789014) is 2-chloro-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 2-chloro-N-pyridin-2-ylpropanamide?
The canonical SMILES for 2-chloro-N-pyridin-2-ylpropanamide is CC(Cl)C(=O)Nc1ccccn1.
What is the InChIKey of 2-chloro-N-pyridin-2-ylpropanamide?
The InChIKey is CGOIKYFFLOPCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O/c1-6(9)8(12)11-7-4-2-3-5-10-7/h2-6H,1H3,(H,10,11,12).
What are the key properties of 2-chloro-N-pyridin-2-ylpropanamide?
2-chloro-N-pyridin-2-ylpropanamide has a molecular weight of 184.63 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 16789014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).