5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide

C24H18ClNO5 — CID 3889487

IUPAC5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(OC)c1
InChIInChI=1S/C24H18ClNO5/c1-29-21-10-7-15(25)12-19(21)23(27)26-16-8-9-17(22(13-16)30-2)18-11-14-5-3-4-6-20(14)31-24(18)28/h3-13H,1-2H3,(H,26,27)
InChIKeyAGBACFIKFBQYQO-UHFFFAOYSA-N
MW435.86 g/mol
LogP5.38
Rot. Bonds5

About 5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide

5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide (PubChem CID 3889487) has the molecular formula C24H18ClNO5 and a molecular weight of 435.86 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
PubChem CID3889487
Molecular FormulaC24H18ClNO5
Molecular Weight435.86 g/mol
Exact Mass435.09
IUPAC Name5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(OC)c1
InChIInChI=1S/C24H18ClNO5/c1-29-21-10-7-15(25)12-19(21)23(27)26-16-8-9-17(22(13-16)30-2)18-11-14-5-3-4-6-20(14)31-24(18)28/h3-13H,1-2H3,(H,26,27)
InChIKeyAGBACFIKFBQYQO-UHFFFAOYSA-N
XLogP5.38
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.86
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]-3-methoxynaphthalene-2-carboxamide
CID 3440474
3,5-dimethoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1256387
(2R)-2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]propanamide
CID 26020802
2-methoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 1378119
5-(2,3-dichlorophenyl)-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]furan-2-carboxamide
CID 17117762
N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]-2,4-dinitrobenzamide
CID 3814558
2,5-dichloro-N-[2-methoxy-5-(2-oxochromen-3-yl)phenyl]benzamide
CID 5126605
2-chloro-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3915161
N-[[3-methoxy-4-(2-oxochromen-3-yl)phenyl]carbamoyl]-N-sulfanylbenzamide
CID 87482746
3,4-dimethoxy-N-[4-(2-oxochromen-3-yl)phenyl]benzamide
CID 6486652
N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]benzamide
CID 3356833
N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]-2-morpholin-4-yl-5-nitrobenzamide
CID 2984352

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide?
The IUPAC name of 5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide (CID 3889487) is 5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide is COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(OC)c1.
What is the InChIKey of 5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide?
The InChIKey is AGBACFIKFBQYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClNO5/c1-29-21-10-7-15(25)12-19(21)23(27)26-16-8-9-17(22(13-16)30-2)18-11-14-5-3-4-6-20(14)31-24(18)28/h3-13H,1-2H3,(H,26,27).
What are the key properties of 5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide?
5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide has a molecular weight of 435.86 g/mol, XLogP of 5.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[3-methoxy-4-(2-oxochromen-3-yl)phenyl]benzamide is sourced from PubChem (CID 3889487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).