2-chloro-2-phenyl-N-(1-pyridin-2-ylethyl)acetamide

C15H15ClN2O — CID 43523376

IUPAC2-chloro-2-phenyl-N-(1-pyridin-2-ylethyl)acetamide
SMILESCC(NC(=O)C(Cl)c1ccccc1)c1ccccn1
InChIInChI=1S/C15H15ClN2O/c1-11(13-9-5-6-10-17-13)18-15(19)14(16)12-7-3-2-4-8-12/h2-11,14H,1H3,(H,18,19)
InChIKeyKQWQPECSAYXWOH-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.24
Rot. Bonds4

About 2-chloro-2-phenyl-N-(1-pyridin-2-ylethyl)acetamide

2-chloro-2-phenyl-N-(1-pyridin-2-ylethyl)acetamide (PubChem CID 43523376) has the molecular formula C15H15ClN2O and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-chloro-2-phenyl-N-(1-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound Name2-chloro-2-phenyl-N-(1-pyridin-2-ylethyl)acetamide
PubChem CID43523376
Molecular FormulaC15H15ClN2O
Molecular Weight274.75 g/mol
Exact Mass274.09
IUPAC Name2-chloro-2-phenyl-N-(1-pyridin-2-ylethyl)acetamide
SMILESCC(NC(=O)C(Cl)c1ccccc1)c1ccccn1
InChIInChI=1S/C15H15ClN2O/c1-11(13-9-5-6-10-17-13)18-15(19)14(16)12-7-3-2-4-8-12/h2-11,14H,1H3,(H,18,19)
InChIKeyKQWQPECSAYXWOH-UHFFFAOYSA-N
XLogP3.24
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.24
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-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 93096974
2-amino-2-phenyl-N-[(1R)-1-pyridin-2-ylethyl]acetamide
CID 81407191
3-chloro-2-methyl-N-[(1S)-1-pyridin-2-ylethyl]propanamide
CID 81402068
2-chloro-N-[(1R)-1-(4-chlorophenyl)ethyl]-2-phenylacetamide
CID 81352338
2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 103930332
(2S)-2-amino-N-(1-pyridin-2-ylethyl)butanamide
CID 79024975
(2R)-2-amino-3,3-dimethyl-N-[(1R)-1-pyridin-2-ylethyl]butanamide
CID 113353567
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331
2,2-dimethyl-N-(1-pyridin-2-ylethyl)propanamide
CID 60629083
2-chloro-N-[(1S)-1-pyridin-2-ylethyl]benzamide
CID 36804802
4-oxo-4-(1-pyridin-2-ylethylamino)butanoic acid
CID 43529024

Frequently Asked Questions

What is the IUPAC name of 2-chloro-2-phenyl-N-(1-pyridin-2-ylethyl)acetamide?
The IUPAC name of 2-chloro-2-phenyl-N-(1-pyridin-2-ylethyl)acetamide (CID 43523376) is 2-chloro-2-phenyl-N-(1-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for 2-chloro-2-phenyl-N-(1-pyridin-2-ylethyl)acetamide?
The canonical SMILES for 2-chloro-2-phenyl-N-(1-pyridin-2-ylethyl)acetamide is CC(NC(=O)C(Cl)c1ccccc1)c1ccccn1.
What is the InChIKey of 2-chloro-2-phenyl-N-(1-pyridin-2-ylethyl)acetamide?
The InChIKey is KQWQPECSAYXWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O/c1-11(13-9-5-6-10-17-13)18-15(19)14(16)12-7-3-2-4-8-12/h2-11,14H,1H3,(H,18,19).
What are the key properties of 2-chloro-2-phenyl-N-(1-pyridin-2-ylethyl)acetamide?
2-chloro-2-phenyl-N-(1-pyridin-2-ylethyl)acetamide has a molecular weight of 274.75 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-2-phenyl-N-(1-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 43523376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).