N-[(2-bromophenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)acetamide

C19H16BrNO3 — CID 134836166

IUPACN-[(2-bromophenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCC(=O)N(Cc1ccccc1Br)c1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C19H16BrNO3/c1-12-9-19(23)24-18-10-15(7-8-16(12)18)21(13(2)22)11-14-5-3-4-6-17(14)20/h3-10H,11H2,1-2H3
InChIKeyYPCJMYDWUDMWRY-UHFFFAOYSA-N
MW386.25 g/mol
LogP4.42
Rot. Bonds3

About N-[(2-bromophenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)acetamide

N-[(2-bromophenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)acetamide (PubChem CID 134836166) has the molecular formula C19H16BrNO3 and a molecular weight of 386.25 g/mol. Its IUPAC name is N-[(2-bromophenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)acetamide.

Molecular Properties

Compound NameN-[(2-bromophenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)acetamide
PubChem CID134836166
Molecular FormulaC19H16BrNO3
Molecular Weight386.25 g/mol
Exact Mass385.03
IUPAC NameN-[(2-bromophenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)acetamide
SMILESCC(=O)N(Cc1ccccc1Br)c1ccc2c(C)cc(=O)oc2c1
InChIInChI=1S/C19H16BrNO3/c1-12-9-19(23)24-18-10-15(7-8-16(12)18)21(13(2)22)11-14-5-3-4-6-17(14)20/h3-10H,11H2,1-2H3
InChIKeyYPCJMYDWUDMWRY-UHFFFAOYSA-N
XLogP4.42
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-[(2-bromo-5-methoxyphenyl)methyl-ethylamino]-4-methylchromen-2-one
CID 134836131
7-[ethyl(methyl)amino]-4-methylchromen-2-one
CID 142927379
7-[6-hydroxyhexyl(methyl)amino]-4-methylchromen-2-one
CID 139664069
7-(dibutylamino)-4-methylchromen-2-one
CID 57354868
sodium;7-(diethylamino)-4-methylchromen-2-one;hydride;sulfuric acid
CID 174050797
5-[(2-bromophenyl)methoxy]-4,7-dimethylchromen-2-one
CID 2196697
7-(diethylamino)-4-methylchromen-2-one sulfate
CID 23622381
4-[[(2-bromophenyl)methyl-methylamino]methyl]-7-hydroxy-8-methylchromen-2-one
CID 8515574
1,1-diaminourea;4-methylchromen-2-one
CID 174896620
7-(2-hydroxyethyl)-4-methylchromen-2-one
CID 59776497
(4-methyl-2-oxochromen-7-yl) 2-(2-methoxyphenyl)acetate
CID 9097847
(4-methyl-2-oxochromen-7-yl) 2-methylpropanoate
CID 728527

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromophenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The IUPAC name of N-[(2-bromophenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)acetamide (CID 134836166) is N-[(2-bromophenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)acetamide.
What is the SMILES notation for N-[(2-bromophenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The canonical SMILES for N-[(2-bromophenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)acetamide is CC(=O)N(Cc1ccccc1Br)c1ccc2c(C)cc(=O)oc2c1.
What is the InChIKey of N-[(2-bromophenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)acetamide?
The InChIKey is YPCJMYDWUDMWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO3/c1-12-9-19(23)24-18-10-15(7-8-16(12)18)21(13(2)22)11-14-5-3-4-6-17(14)20/h3-10H,11H2,1-2H3.
What are the key properties of N-[(2-bromophenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)acetamide?
N-[(2-bromophenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)acetamide has a molecular weight of 386.25 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromophenyl)methyl]-N-(4-methyl-2-oxochromen-7-yl)acetamide is sourced from PubChem (CID 134836166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).