2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide

C23H15Cl2NO4 — CID 5126605

IUPAC2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
SMILESCOc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C23H15Cl2NO4/c1-29-21-9-6-13(16-10-14-4-2-3-5-20(14)30-23(16)28)11-19(21)26-22(27)17-12-15(24)7-8-18(17)25/h2-12H,1H3,(H,26,27)
InChIKeyBHEOBZRRRDUUDW-UHFFFAOYSA-N
MW440.28 g/mol
LogP6.03
Rot. Bonds4

About 2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide

2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide (PubChem CID 5126605) has the molecular formula C23H15Cl2NO4 and a molecular weight of 440.28 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
PubChem CID5126605
Molecular FormulaC23H15Cl2NO4
Molecular Weight440.28 g/mol
Exact Mass439.04
IUPAC Name2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
SMILESCOc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C23H15Cl2NO4/c1-29-21-9-6-13(16-10-14-4-2-3-5-20(14)30-23(16)28)11-19(21)26-22(27)17-12-15(24)7-8-18(17)25/h2-12H,1H3,(H,26,27)
InChIKeyBHEOBZRRRDUUDW-UHFFFAOYSA-N
XLogP6.03
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.28
LogP ≤ 56.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]pyridine-3-carboxamide
CID 5133988
N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]-2-phenylacetamide
CID 3899634
3-bromo-4-ethoxy-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
CID 2219017
N-(2-methoxyphenyl)-4-(2-oxochromen-3-yl)benzamide
CID 2958481
5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3889487
N-(5-chloro-2,4-dimethoxyphenyl)-2-oxochromene-3-carboxamide
CID 1243980
N-[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 4682019
2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1378119
2,3,5,6-tetrafluoro-4-methoxy-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]benzamide
CID 17315609
N-[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]-3-(2-oxochromen-3-yl)benzamide
CID 28675580
8-chloro-N-(5-chloro-2-methoxyphenyl)-2-oxochromene-3-carboxamide
CID 100794843
5-bromo-2-methoxy-N-[[2-methoxy-5-(2-oxochromen-3-yl)phenyl]carbamothioyl]-3-methylbenzamide
CID 3945792

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide?
The IUPAC name of 2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide (CID 5126605) is 2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide.
What is the SMILES notation for 2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide?
The canonical SMILES for 2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide is COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide?
The InChIKey is BHEOBZRRRDUUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2NO4/c1-29-21-9-6-13(16-10-14-4-2-3-5-20(14)30-23(16)28)11-19(21)26-22(27)17-12-15(24)7-8-18(17)25/h2-12H,1H3,(H,26,27).
What are the key properties of 2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide?
2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide has a molecular weight of 440.28 g/mol, XLogP of 6.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide is sourced from PubChem (CID 5126605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).