3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide

C11H15ClN2O — CID 81402068

IUPAC3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
SMILESCC(CCl)C(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C11H15ClN2O/c1-8(7-12)11(15)14-9(2)10-5-3-4-6-13-10/h3-6,8-9H,7H2,1-2H3,(H,14,15)/t8?,9-/m0/s1
InChIKeyMPBGOTHRBBKLPG-GKAPJAKFSA-N
MW226.71 g/mol
LogP2.13
Rot. Bonds4

About 3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide

3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide (PubChem CID 81402068) has the molecular formula C11H15ClN2O and a molecular weight of 226.71 g/mol. Its IUPAC name is 3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide.

Molecular Properties

Compound Name3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
PubChem CID81402068
Molecular FormulaC11H15ClN2O
Molecular Weight226.71 g/mol
Exact Mass226.09
IUPAC Name3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
SMILESCC(CCl)C(=O)N[C@@H](C)c1ccccn1
InChIInChI=1S/C11H15ClN2O/c1-8(7-12)11(15)14-9(2)10-5-3-4-6-13-10/h3-6,8-9H,7H2,1-2H3,(H,14,15)/t8?,9-/m0/s1
InChIKeyMPBGOTHRBBKLPG-GKAPJAKFSA-N
XLogP2.13
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.13
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-(1-pyridin-2-ylethyl)propanamide
CID 43523379
(2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide
CID 79024975
(2S)-2-amino-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
CID 81407362
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2-chloro-2-phenyl-N-(1-pyridin-2-ylethyl)acetamide
CID 43523376
1-butan-2-yl-3-(1-pyridin-2-ylethyl)urea
CID 75415056
2-(1-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 61198086
2-amino-N-(1-pyridin-2-ylethyl)pentanamide
CID 43650304
(2S)-2-amino-N-[(1R)-1-pyridin-2-ylethyl]pentanamide
CID 107570243
2-(2-chlorophenyl)-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 25337037
2-bromo-N-[(1S)-1-pyridin-2-ylethyl]acetamide
CID 81401514
(2S)-2-amino-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 93096974

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide?
The IUPAC name of 3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide (CID 81402068) is 3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide.
What is the SMILES notation for 3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide?
The canonical SMILES for 3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide is CC(CCl)C(=O)N[C@@H](C)c1ccccn1.
What is the InChIKey of 3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide?
The InChIKey is MPBGOTHRBBKLPG-GKAPJAKFSA-N. The full InChI is InChI=1S/C11H15ClN2O/c1-8(7-12)11(15)14-9(2)10-5-3-4-6-13-10/h3-6,8-9H,7H2,1-2H3,(H,14,15)/t8?,9-/m0/s1.
What are the key properties of 3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide?
3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide has a molecular weight of 226.71 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide is sourced from PubChem (CID 81402068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).