4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methoxy]benzamide

C18H14ClNO4 — CID 7931369

IUPAC4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methoxy]benzamide
SMILESCc1cc2oc(=O)cc(COc3ccc(C(N)=O)cc3)c2cc1Cl
InChIInChI=1S/C18H14ClNO4/c1-10-6-16-14(8-15(10)19)12(7-17(21)24-16)9-23-13-4-2-11(3-5-13)18(20)22/h2-8H,9H2,1H3,(H2,20,22)
InChIKeyGXODRCRMFQVXBQ-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.43
Rot. Bonds4

About 4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methoxy]benzamide

4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methoxy]benzamide (PubChem CID 7931369) has the molecular formula C18H14ClNO4 and a molecular weight of 343.77 g/mol. Its IUPAC name is 4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methoxy]benzamide.

Molecular Properties

Compound Name4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methoxy]benzamide
PubChem CID7931369
Molecular FormulaC18H14ClNO4
Molecular Weight343.77 g/mol
Exact Mass343.06
IUPAC Name4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methoxy]benzamide
SMILESCc1cc2oc(=O)cc(COc3ccc(C(N)=O)cc3)c2cc1Cl
InChIInChI=1S/C18H14ClNO4/c1-10-6-16-14(8-15(10)19)12(7-17(21)24-16)9-23-13-4-2-11(3-5-13)18(20)22/h2-8H,9H2,1H3,(H2,20,22)
InChIKeyGXODRCRMFQVXBQ-UHFFFAOYSA-N
XLogP3.43
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.43
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

(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-methoxybenzoate
CID 7861892
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-(3,4-dimethylphenoxy)acetate
CID 8922777
4-[(7,8-dimethyl-2-oxochromen-4-yl)methoxy]benzamide
CID 7931392
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-ethoxy-4-methoxybenzoate
CID 7558613
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-(methoxymethyl)benzoate
CID 7587927
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-[(4-methoxybenzoyl)amino]acetate
CID 8788122
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 4-nitrobenzoate
CID 7834811
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-(3,5-dimethylphenoxy)acetate
CID 7853741
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 5,6-dichloropyridine-3-carboxylate
CID 8021608
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 2-methoxyacetate
CID 7775949
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 3-fluorobenzoate
CID 8612244
4-[(4-chloro-3-methylphenoxy)methyl]-7-methyl-6-propan-2-ylchromen-2-one
CID 4043101

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methoxy]benzamide?
The IUPAC name of 4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methoxy]benzamide (CID 7931369) is 4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methoxy]benzamide.
What is the SMILES notation for 4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methoxy]benzamide?
The canonical SMILES for 4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methoxy]benzamide is Cc1cc2oc(=O)cc(COc3ccc(C(N)=O)cc3)c2cc1Cl.
What is the InChIKey of 4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methoxy]benzamide?
The InChIKey is GXODRCRMFQVXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO4/c1-10-6-16-14(8-15(10)19)12(7-17(21)24-16)9-23-13-4-2-11(3-5-13)18(20)22/h2-8H,9H2,1H3,(H2,20,22).
What are the key properties of 4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methoxy]benzamide?
4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methoxy]benzamide has a molecular weight of 343.77 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-7-methyl-2-oxochromen-4-yl)methoxy]benzamide is sourced from PubChem (CID 7931369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).