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

C19H16BrNO4 — CID 16504643

IUPACN-[(4-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C19H16BrNO4/c1-21(11-13-2-6-15(20)7-3-13)18(22)12-24-16-8-4-14-5-9-19(23)25-17(14)10-16/h2-10H,11-12H2,1H3
InChIKeyICLZWEBMXYJBCF-UHFFFAOYSA-N
MW402.24 g/mol
LogP3.59
Rot. Bonds5

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

N-[(4-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide (PubChem CID 16504643) has the molecular formula C19H16BrNO4 and a molecular weight of 402.24 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
PubChem CID16504643
Molecular FormulaC19H16BrNO4
Molecular Weight402.24 g/mol
Exact Mass401.03
IUPAC NameN-[(4-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
SMILESCN(Cc1ccc(Br)cc1)C(=O)COc1ccc2ccc(=O)oc2c1
InChIInChI=1S/C19H16BrNO4/c1-21(11-13-2-6-15(20)7-3-13)18(22)12-24-16-8-4-14-5-9-19(23)25-17(14)10-16/h2-10H,11-12H2,1H3
InChIKeyICLZWEBMXYJBCF-UHFFFAOYSA-N
XLogP3.59
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[ethyl-[2-(2-oxochromen-7-yl)oxyacetyl]amino]methyl]-N,N-dimethylbenzamide
CID 56511803
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 119655442
N-methyl-2-(2-oxochromen-7-yl)oxy-N-(quinoxalin-2-ylmethyl)acetamide
CID 171387743
N-[(4-fluorophenyl)methyl]-N-methyl-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16524874
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-fluorophenyl)methyl]-N-methylacetamide
CID 18130949
N-cycloheptyl-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide
CID 51287180
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 26024046
4-[[[2-(4-bromophenoxy)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 17459938
N-(4-bromo-2-methylphenyl)-2-(2-oxochromen-7-yl)oxyacetamide
CID 2610857
N-[(4-hydroxyphenyl)methyl]-N-methyl-2-naphthalen-2-yloxyacetamide
CID 51114602
7-(2-methylprop-2-enoxy)chromen-2-one
CID 875202
N-[(4-bromophenyl)methyl]-N-methyl-2-(3-nitrophenoxy)acetamide
CID 30381222

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide (CID 16504643) is N-[(4-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide is CN(Cc1ccc(Br)cc1)C(=O)COc1ccc2ccc(=O)oc2c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide?
The InChIKey is ICLZWEBMXYJBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrNO4/c1-21(11-13-2-6-15(20)7-3-13)18(22)12-24-16-8-4-14-5-9-19(23)25-17(14)10-16/h2-10H,11-12H2,1H3.
What are the key properties of N-[(4-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide?
N-[(4-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide has a molecular weight of 402.24 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-N-methyl-2-(2-oxochromen-7-yl)oxyacetamide is sourced from PubChem (CID 16504643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).