2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide

C8H7Cl3N2O — CID 4583439

IUPAC2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide
SMILESCC(Cl)C(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl3N2O/c1-4(9)8(14)13-7-6(11)2-5(10)3-12-7/h2-4H,1H3,(H,12,13,14)
InChIKeyLNSJNKMEAJUSBK-UHFFFAOYSA-N
MW253.52 g/mol
LogP2.95
Rot. Bonds2

About 2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide

2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide (PubChem CID 4583439) has the molecular formula C8H7Cl3N2O and a molecular weight of 253.52 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide
PubChem CID4583439
Molecular FormulaC8H7Cl3N2O
Molecular Weight253.52 g/mol
Exact Mass251.96
IUPAC Name2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide
SMILESCC(Cl)C(=O)Nc1ncc(Cl)cc1Cl
InChIInChI=1S/C8H7Cl3N2O/c1-4(9)8(14)13-7-6(11)2-5(10)3-12-7/h2-4H,1H3,(H,12,13,14)
InChIKeyLNSJNKMEAJUSBK-UHFFFAOYSA-N
XLogP2.95
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.52
LogP ≤ 52.95
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

S-methyl N-(3,5-dichloro-2-pyridinyl)carbamothioate
CID 87838372
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-hydroxybenzoate
CID 2624812
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] pyrrolidine-1-carbodithioate
CID 7606283
ethyl 2-[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl]sulfanylacetate
CID 9286880
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-tert-butylbenzoate
CID 7814807
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2,6-dimethoxybenzoate
CID 2513518
[(2R)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-methoxybenzoate
CID 2510423
methyl 2-[(3,5-dichloro-2-pyridinyl)amino]propanoate
CID 43515153
[1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-chloro-4-fluorobenzoate
CID 4652502
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-formylbenzoate
CID 7966457
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2,5-dimethylfuran-3-carboxylate
CID 2584593
[(2S)-1-[(3,5-dichloro-2-pyridinyl)amino]-1-oxopropan-2-yl] adamantane-2-carboxylate
CID 8519254

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide?
The IUPAC name of 2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide (CID 4583439) is 2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide.
What is the SMILES notation for 2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide?
The canonical SMILES for 2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide is CC(Cl)C(=O)Nc1ncc(Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide?
The InChIKey is LNSJNKMEAJUSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl3N2O/c1-4(9)8(14)13-7-6(11)2-5(10)3-12-7/h2-4H,1H3,(H,12,13,14).
What are the key properties of 2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide?
2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide has a molecular weight of 253.52 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dichloro-2-pyridinyl)propanamide is sourced from PubChem (CID 4583439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).