2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide

C13H10Cl2N2O — CID 43245528

IUPAC2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide
SMILESO=C(Nc1ccc(Cl)cn1)C(Cl)c1ccccc1
InChIInChI=1S/C13H10Cl2N2O/c14-10-6-7-11(16-8-10)17-13(18)12(15)9-4-2-1-3-5-9/h1-8,12H,(H,16,17,18)
InChIKeyXRYNKAOKFXXDHI-UHFFFAOYSA-N
MW281.14 g/mol
LogP3.65
Rot. Bonds3

About 2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide

2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide (PubChem CID 43245528) has the molecular formula C13H10Cl2N2O and a molecular weight of 281.14 g/mol. Its IUPAC name is 2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide.

Molecular Properties

Compound Name2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide
PubChem CID43245528
Molecular FormulaC13H10Cl2N2O
Molecular Weight281.14 g/mol
Exact Mass280.02
IUPAC Name2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide
SMILESO=C(Nc1ccc(Cl)cn1)C(Cl)c1ccccc1
InChIInChI=1S/C13H10Cl2N2O/c14-10-6-7-11(16-8-10)17-13(18)12(15)9-4-2-1-3-5-9/h1-8,12H,(H,16,17,18)
InChIKeyXRYNKAOKFXXDHI-UHFFFAOYSA-N
XLogP3.65
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 53.65
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

1-benzhydryl-3-(5-chloro-2-pyridinyl)urea
CID 108867612
N-[(5-chloro-2-pyridinyl)carbamothioyl]-2,2-diphenylacetamide
CID 1048122
(3R)-N-(5-chloro-2-pyridinyl)-3-phenylbutanamide
CID 7277749
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821819
(2S)-2-amino-N-(5-chloro-2-pyridinyl)-4-phenylbutanamide
CID 104983845
(2R)-N-(5-chloro-2-pyridinyl)-2-[[(1S)-1,2-diphenylethyl]amino]propanamide
CID 39983438
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (3R)-3-phenylbutanoate
CID 7227874
(2R)-N-(5-chloro-2-pyridinyl)-2-[[(1R)-1,2-diphenylethyl]amino]propanamide
CID 39983445
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] benzoate
CID 2517073
N-(5-chloro-2-pyridinyl)-2-phenyl-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712703
2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 76892362

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide?
The IUPAC name of 2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide (CID 43245528) is 2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide.
What is the SMILES notation for 2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide?
The canonical SMILES for 2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide is O=C(Nc1ccc(Cl)cn1)C(Cl)c1ccccc1.
What is the InChIKey of 2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide?
The InChIKey is XRYNKAOKFXXDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N2O/c14-10-6-7-11(16-8-10)17-13(18)12(15)9-4-2-1-3-5-9/h1-8,12H,(H,16,17,18).
What are the key properties of 2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide?
2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide has a molecular weight of 281.14 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide is sourced from PubChem (CID 43245528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).