3,5-dichloro-2-(2-oxochromen-3-yl)benzamide

C16H9Cl2NO3 — CID 91688749

IUPAC3,5-dichloro-2-(2-oxochromen-3-yl)benzamide
SMILESNC(=O)c1cc(Cl)cc(Cl)c1-c1cc2ccccc2oc1=O
InChIInChI=1S/C16H9Cl2NO3/c17-9-6-10(15(19)20)14(12(18)7-9)11-5-8-3-1-2-4-13(8)22-16(11)21/h1-7H,(H2,19,20)
InChIKeyOZJWNSFZGUKBQO-UHFFFAOYSA-N
MW334.16 g/mol
LogP3.87
Rot. Bonds2

About 3,5-dichloro-2-(2-oxochromen-3-yl)benzamide

3,5-dichloro-2-(2-oxochromen-3-yl)benzamide (PubChem CID 91688749) has the molecular formula C16H9Cl2NO3 and a molecular weight of 334.16 g/mol. Its IUPAC name is 3,5-dichloro-2-(2-oxochromen-3-yl)benzamide.

Molecular Properties

Compound Name3,5-dichloro-2-(2-oxochromen-3-yl)benzamide
PubChem CID91688749
Molecular FormulaC16H9Cl2NO3
Molecular Weight334.16 g/mol
Exact Mass333.00
IUPAC Name3,5-dichloro-2-(2-oxochromen-3-yl)benzamide
SMILESNC(=O)c1cc(Cl)cc(Cl)c1-c1cc2ccccc2oc1=O
InChIInChI=1S/C16H9Cl2NO3/c17-9-6-10(15(19)20)14(12(18)7-9)11-5-8-3-1-2-4-13(8)22-16(11)21/h1-7H,(H2,19,20)
InChIKeyOZJWNSFZGUKBQO-UHFFFAOYSA-N
XLogP3.87
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-(2-oxochromen-3-yl)benzamide
CID 91688734
4-chloro-3-(2-oxochromen-3-yl)benzoyl chloride
CID 91688771
3,5-dibromo-2-(2-oxochromen-3-yl)benzoic acid
CID 91688743
N-carbamoyl-2-oxochromene-3-carboxamide
CID 849924
3-(2-hydroxyphenyl)chromen-2-one
CID 819892
2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3915161
6-(1-benzofuran-2-yl)-1,3-benzodioxole-5-carboxamide
CID 56708499
3-phenylchromen-2-one;hydrochloride
CID 141206894
2-oxochromene-3-carboxylic acid
CID 161011590
5-bromo-2-chloro-N-[[4-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide
CID 2202133
4-(2-oxochromen-3-yl)benzoate
CID 4249737
(3-carbamoylchromen-2-ylidene)azanium perchlorate
CID 12862916

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(2-oxochromen-3-yl)benzamide?
The IUPAC name of 3,5-dichloro-2-(2-oxochromen-3-yl)benzamide (CID 91688749) is 3,5-dichloro-2-(2-oxochromen-3-yl)benzamide.
What is the SMILES notation for 3,5-dichloro-2-(2-oxochromen-3-yl)benzamide?
The canonical SMILES for 3,5-dichloro-2-(2-oxochromen-3-yl)benzamide is NC(=O)c1cc(Cl)cc(Cl)c1-c1cc2ccccc2oc1=O.
What is the InChIKey of 3,5-dichloro-2-(2-oxochromen-3-yl)benzamide?
The InChIKey is OZJWNSFZGUKBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO3/c17-9-6-10(15(19)20)14(12(18)7-9)11-5-8-3-1-2-4-13(8)22-16(11)21/h1-7H,(H2,19,20).
What are the key properties of 3,5-dichloro-2-(2-oxochromen-3-yl)benzamide?
3,5-dichloro-2-(2-oxochromen-3-yl)benzamide has a molecular weight of 334.16 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(2-oxochromen-3-yl)benzamide is sourced from PubChem (CID 91688749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).