2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide

C10H8Cl3NO2 — CID 142639963

IUPAC2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide
SMILESCC(=O)C(Cl)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H8Cl3NO2/c1-5(15)9(13)10(16)14-8-4-6(11)2-3-7(8)12/h2-4,9H,1H3,(H,14,16)
InChIKeyIWDRCQRNKMYQJI-UHFFFAOYSA-N
MW280.54 g/mol
LogP3.13
Rot. Bonds3

About 2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide

2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide (PubChem CID 142639963) has the molecular formula C10H8Cl3NO2 and a molecular weight of 280.54 g/mol. Its IUPAC name is 2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide.

Molecular Properties

Compound Name2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide
PubChem CID142639963
Molecular FormulaC10H8Cl3NO2
Molecular Weight280.54 g/mol
Exact Mass278.96
IUPAC Name2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide
SMILESCC(=O)C(Cl)C(=O)Nc1cc(Cl)ccc1Cl
InChIInChI=1S/C10H8Cl3NO2/c1-5(15)9(13)10(16)14-8-4-6(11)2-3-7(8)12/h2-4,9H,1H3,(H,14,16)
InChIKeyIWDRCQRNKMYQJI-UHFFFAOYSA-N
XLogP3.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.54
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-bromo-N-(2,5-dichlorophenyl)propanamide
CID 94831435
1-(2,5-dichlorophenyl)-3-(3-oxobutan-2-yl)urea
CID 64994195
2-chloro-N-[(2,5-dichlorophenyl)carbamoyl]propanamide
CID 43145990
(2S)-2-(4-acetylpiperazin-1-yl)-N-(2,5-dichlorophenyl)propanamide
CID 2690255
(2S)-2-[(2,5-dichlorophenyl)carbamoylamino]pentanoic acid
CID 107564807
N-(2,5-dichlorophenyl)-2-(2,3,5,6-tetrafluorophenoxy)propanamide
CID 5077504
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 4-methylpentanoate
CID 7848170
N-(2,5-dichlorophenyl)-2-(2-hydroxyethylamino)propanamide
CID 82358493
N-(2,5-dichlorophenyl)-2-(2-methylpropylsulfanyl)propanamide
CID 55315484
2-[(2,5-dichlorophenyl)carbamoylamino]hexanoic acid
CID 43555003
N-(2,5-dichlorophenyl)-N'-propan-2-yloxamide
CID 2988512
(2R)-N-(2,5-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2501549

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide?
The IUPAC name of 2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide (CID 142639963) is 2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide.
What is the SMILES notation for 2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide?
The canonical SMILES for 2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide is CC(=O)C(Cl)C(=O)Nc1cc(Cl)ccc1Cl.
What is the InChIKey of 2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide?
The InChIKey is IWDRCQRNKMYQJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3NO2/c1-5(15)9(13)10(16)14-8-4-6(11)2-3-7(8)12/h2-4,9H,1H3,(H,14,16).
What are the key properties of 2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide?
2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide has a molecular weight of 280.54 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,5-dichlorophenyl)-3-oxobutanamide is sourced from PubChem (CID 142639963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).