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

C16H9Cl2NO3 — CID 4025638

IUPAC2,3-dichloro-N-(2-oxochromen-3-yl)benzamide
SMILESO=C(Nc1cc2ccccc2oc1=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H9Cl2NO3/c17-11-6-3-5-10(14(11)18)15(20)19-12-8-9-4-1-2-7-13(9)22-16(12)21/h1-8H,(H,19,20)
InChIKeyXPCUCIJEXDFRJI-UHFFFAOYSA-N
MW334.16 g/mol
LogP4.35
Rot. Bonds2

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

2,3-dichloro-N-(2-oxochromen-3-yl)benzamide (PubChem CID 4025638) has the molecular formula C16H9Cl2NO3 and a molecular weight of 334.16 g/mol. Its IUPAC name is 2,3-dichloro-N-(2-oxochromen-3-yl)benzamide.

Molecular Properties

Compound Name2,3-dichloro-N-(2-oxochromen-3-yl)benzamide
PubChem CID4025638
Molecular FormulaC16H9Cl2NO3
Molecular Weight334.16 g/mol
Exact Mass333.00
IUPAC Name2,3-dichloro-N-(2-oxochromen-3-yl)benzamide
SMILESO=C(Nc1cc2ccccc2oc1=O)c1cccc(Cl)c1Cl
InChIInChI=1S/C16H9Cl2NO3/c17-11-6-3-5-10(14(11)18)15(20)19-12-8-9-4-1-2-7-13(9)22-16(12)21/h1-8H,(H,19,20)
InChIKeyXPCUCIJEXDFRJI-UHFFFAOYSA-N
XLogP4.35
TPSA59.31 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 ≤ 54.35
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

3-(2,3-dichlorophenyl)-N-(2-oxochromen-3-yl)prop-2-enamide
CID 5082597
N-[3-[(2-chlorobenzoyl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 5346060
N-(6-chloro-2-oxochromen-3-yl)-2-fluorobenzamide
CID 4276970
2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3915161
N-[(E)-(2,3-dichlorophenyl)methylideneamino]-2-oxochromene-3-carboxamide
CID 53375224
2,3-dichloro-N-(2-chloro-4-hydroxyphenyl)benzamide
CID 64787158
2-chloro-N-[3-[[4-(2-oxochromen-3-yl)benzoyl]amino]phenyl]benzamide
CID 4572798
N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1243980
2,3-dichloro-N-(2-chloro-4-methylphenyl)benzamide
CID 7926718
N-(2-oxochromen-3-yl)prop-2-enamide
CID 91937746
N-(3-carbamoyl-2-methylphenyl)-2-oxochromene-3-carboxamide
CID 34584567
2,3-dichloro-N-phenylbenzamide
CID 7732866

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-N-(2-oxochromen-3-yl)benzamide?
The IUPAC name of 2,3-dichloro-N-(2-oxochromen-3-yl)benzamide (CID 4025638) is 2,3-dichloro-N-(2-oxochromen-3-yl)benzamide.
What is the SMILES notation for 2,3-dichloro-N-(2-oxochromen-3-yl)benzamide?
The canonical SMILES for 2,3-dichloro-N-(2-oxochromen-3-yl)benzamide is O=C(Nc1cc2ccccc2oc1=O)c1cccc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-N-(2-oxochromen-3-yl)benzamide?
The InChIKey is XPCUCIJEXDFRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9Cl2NO3/c17-11-6-3-5-10(14(11)18)15(20)19-12-8-9-4-1-2-7-13(9)22-16(12)21/h1-8H,(H,19,20).
What are the key properties of 2,3-dichloro-N-(2-oxochromen-3-yl)benzamide?
2,3-dichloro-N-(2-oxochromen-3-yl)benzamide has a molecular weight of 334.16 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-N-(2-oxochromen-3-yl)benzamide is sourced from PubChem (CID 4025638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).