2-[4-(6-bromo-2-oxochromen-3-yl)phenoxy]acetamide

C17H12BrNO4 — CID 42536387

IUPAC2-[4-(6-bromo-2-oxochromen-3-yl)phenoxy]acetamide
SMILESNC(=O)COc1ccc(-c2cc3cc(Br)ccc3oc2=O)cc1
InChIInChI=1S/C17H12BrNO4/c18-12-3-6-15-11(7-12)8-14(17(21)23-15)10-1-4-13(5-2-10)22-9-16(19)20/h1-8H,9H2,(H2,19,20)
InChIKeyIRBPJYJWMBHAQC-UHFFFAOYSA-N
MW374.19 g/mol
LogP3.09
Rot. Bonds4

About 2-[4-(6-bromo-2-oxochromen-3-yl)phenoxy]acetamide

2-[4-(6-bromo-2-oxochromen-3-yl)phenoxy]acetamide (PubChem CID 42536387) has the molecular formula C17H12BrNO4 and a molecular weight of 374.19 g/mol. Its IUPAC name is 2-[4-(6-bromo-2-oxochromen-3-yl)phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-(6-bromo-2-oxochromen-3-yl)phenoxy]acetamide
PubChem CID42536387
Molecular FormulaC17H12BrNO4
Molecular Weight374.19 g/mol
Exact Mass372.99
IUPAC Name2-[4-(6-bromo-2-oxochromen-3-yl)phenoxy]acetamide
SMILESNC(=O)COc1ccc(-c2cc3cc(Br)ccc3oc2=O)cc1
InChIInChI=1S/C17H12BrNO4/c18-12-3-6-15-11(7-12)8-14(17(21)23-15)10-1-4-13(5-2-10)22-9-16(19)20/h1-8H,9H2,(H2,19,20)
InChIKeyIRBPJYJWMBHAQC-UHFFFAOYSA-N
XLogP3.09
TPSA82.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.19
LogP ≤ 53.09
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-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetamide
CID 1253105
4-(6-bromo-2-oxochromen-3-yl)benzoic acid
CID 907410
2-[4-(4-bromophenyl)phenoxy]acetamide
CID 7949184
1-[2-[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]acetyl]piperidin-4-one
CID 42534542
6-bromo-3-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]chromen-2-one
CID 22310249
N-[(2R)-1-hydroxypropan-2-yl]-2-[4-(2-oxochromen-3-yl)phenoxy]acetamide
CID 51808629
2-[4-[5-(4-bromophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 19328461
3-(4-bromophenyl)-7-methoxychromen-2-one
CID 688900
2-[3-(4-chlorophenyl)-2-oxochromen-7-yl]oxyacetic acid
CID 1383018
2-[3-(4-fluorophenyl)-2-oxochromen-7-yl]oxyacetic acid
CID 1382977
3-[4-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxychromen-2-one
CID 45371283
2-[3-(4-bromophenyl)-2-methyl-4-oxochromen-7-yl]oxyacetamide
CID 1309838

Frequently Asked Questions

What is the IUPAC name of 2-[4-(6-bromo-2-oxochromen-3-yl)phenoxy]acetamide?
The IUPAC name of 2-[4-(6-bromo-2-oxochromen-3-yl)phenoxy]acetamide (CID 42536387) is 2-[4-(6-bromo-2-oxochromen-3-yl)phenoxy]acetamide.
What is the SMILES notation for 2-[4-(6-bromo-2-oxochromen-3-yl)phenoxy]acetamide?
The canonical SMILES for 2-[4-(6-bromo-2-oxochromen-3-yl)phenoxy]acetamide is NC(=O)COc1ccc(-c2cc3cc(Br)ccc3oc2=O)cc1.
What is the InChIKey of 2-[4-(6-bromo-2-oxochromen-3-yl)phenoxy]acetamide?
The InChIKey is IRBPJYJWMBHAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrNO4/c18-12-3-6-15-11(7-12)8-14(17(21)23-15)10-1-4-13(5-2-10)22-9-16(19)20/h1-8H,9H2,(H2,19,20).
What are the key properties of 2-[4-(6-bromo-2-oxochromen-3-yl)phenoxy]acetamide?
2-[4-(6-bromo-2-oxochromen-3-yl)phenoxy]acetamide has a molecular weight of 374.19 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(6-bromo-2-oxochromen-3-yl)phenoxy]acetamide is sourced from PubChem (CID 42536387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).