N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide

C19H21BrN2O3 — CID 7601407

IUPACN-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C19H21BrN2O3/c1-22(13-15-11-16(20)8-9-17(15)25-2)19(24)12-21-18(23)10-14-6-4-3-5-7-14/h3-9,11H,10,12-13H2,1-2H3,(H,21,23)
InChIKeyHITSZJIPSDEQSL-UHFFFAOYSA-N
MW405.29 g/mol
LogP2.78
Rot. Bonds7

About N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide

N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide (PubChem CID 7601407) has the molecular formula C19H21BrN2O3 and a molecular weight of 405.29 g/mol. Its IUPAC name is N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide
PubChem CID7601407
Molecular FormulaC19H21BrN2O3
Molecular Weight405.29 g/mol
Exact Mass404.07
IUPAC NameN-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide
SMILESCOc1ccc(Br)cc1CN(C)C(=O)CNC(=O)Cc1ccccc1
InChIInChI=1S/C19H21BrN2O3/c1-22(13-15-11-16(20)8-9-17(15)25-2)19(24)12-21-18(23)10-14-6-4-3-5-7-14/h3-9,11H,10,12-13H2,1-2H3,(H,21,23)
InChIKeyHITSZJIPSDEQSL-UHFFFAOYSA-N
XLogP2.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.29
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide?
The IUPAC name of N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide (CID 7601407) is N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide is COc1ccc(Br)cc1CN(C)C(=O)CNC(=O)Cc1ccccc1.
What is the InChIKey of N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide?
The InChIKey is HITSZJIPSDEQSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21BrN2O3/c1-22(13-15-11-16(20)8-9-17(15)25-2)19(24)12-21-18(23)10-14-6-4-3-5-7-14/h3-9,11H,10,12-13H2,1-2H3,(H,21,23).
What are the key properties of N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide?
N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide has a molecular weight of 405.29 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-bromo-2-methoxyphenyl)methyl-methylamino]-2-oxoethyl]-2-phenylacetamide is sourced from PubChem (CID 7601407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).