4-chloro-3-(3-oxobutanoyl)benzamide

C11H10ClNO3 — CID 139744464

IUPAC4-chloro-3-(3-oxobutanoyl)benzamide
SMILESCC(=O)CC(=O)c1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C11H10ClNO3/c1-6(14)4-10(15)8-5-7(11(13)16)2-3-9(8)12/h2-3,5H,4H2,1H3,(H2,13,16)
InChIKeyFMZGYCALRFDMKD-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.60
Rot. Bonds4

About 4-chloro-3-(3-oxobutanoyl)benzamide

4-chloro-3-(3-oxobutanoyl)benzamide (PubChem CID 139744464) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 4-chloro-3-(3-oxobutanoyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(3-oxobutanoyl)benzamide
PubChem CID139744464
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name4-chloro-3-(3-oxobutanoyl)benzamide
SMILESCC(=O)CC(=O)c1cc(C(N)=O)ccc1Cl
InChIInChI=1S/C11H10ClNO3/c1-6(14)4-10(15)8-5-7(11(13)16)2-3-9(8)12/h2-3,5H,4H2,1H3,(H2,13,16)
InChIKeyFMZGYCALRFDMKD-UHFFFAOYSA-N
XLogP1.60
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,5-dichlorophenyl)butane-1,3-dione
CID 43089597
1-(2-chloro-5-iodophenyl)butane-1,3-dione
CID 20663973
4-chloro-3-[2-(4-chlorophenyl)acetyl]benzamide
CID 157465284
3,4-diacetylbenzamide
CID 70447380
3-methyl-4-(3-oxobutanoylamino)benzamide
CID 61251334
1-[2,5-dimethyl-4-(3-oxobutanoyl)phenyl]butane-1,3-dione
CID 144612381
3-hydroxy-5-(3-oxobutanoyl)benzamide
CID 139744454
4-chloro-3-(1-methoxypropan-2-ylamino)benzamide
CID 62536792
3-chloro-4-methylbenzamide;ethane
CID 162191867
4-chloro-3-fluorobenzamide;hydrochloride
CID 157022559
3-chloro-4-(2-hydroxyethylamino)benzamide
CID 141166266
sodium;1-(4,5-dichloro-2-hydroxyphenyl)butane-1,3-dione;hydride
CID 70426712

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(3-oxobutanoyl)benzamide?
The IUPAC name of 4-chloro-3-(3-oxobutanoyl)benzamide (CID 139744464) is 4-chloro-3-(3-oxobutanoyl)benzamide.
What is the SMILES notation for 4-chloro-3-(3-oxobutanoyl)benzamide?
The canonical SMILES for 4-chloro-3-(3-oxobutanoyl)benzamide is CC(=O)CC(=O)c1cc(C(N)=O)ccc1Cl.
What is the InChIKey of 4-chloro-3-(3-oxobutanoyl)benzamide?
The InChIKey is FMZGYCALRFDMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c1-6(14)4-10(15)8-5-7(11(13)16)2-3-9(8)12/h2-3,5H,4H2,1H3,(H2,13,16).
What are the key properties of 4-chloro-3-(3-oxobutanoyl)benzamide?
4-chloro-3-(3-oxobutanoyl)benzamide has a molecular weight of 239.66 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(3-oxobutanoyl)benzamide is sourced from PubChem (CID 139744464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).