2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide

C19H23BrN2O2 — CID 16518098

IUPAC2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
SMILESCCN(c1ccc(NC(=O)COc2ccccc2Br)cc1)C(C)C
InChIInChI=1S/C19H23BrN2O2/c1-4-22(14(2)3)16-11-9-15(10-12-16)21-19(23)13-24-18-8-6-5-7-17(18)20/h5-12,14H,4,13H2,1-3H3,(H,21,23)
InChIKeyHGJROQJKTSVGDW-UHFFFAOYSA-N
MW391.31 g/mol
LogP4.70
Rot. Bonds7

About 2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide

2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide (PubChem CID 16518098) has the molecular formula C19H23BrN2O2 and a molecular weight of 391.31 g/mol. Its IUPAC name is 2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
PubChem CID16518098
Molecular FormulaC19H23BrN2O2
Molecular Weight391.31 g/mol
Exact Mass390.09
IUPAC Name2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
SMILESCCN(c1ccc(NC(=O)COc2ccccc2Br)cc1)C(C)C
InChIInChI=1S/C19H23BrN2O2/c1-4-22(14(2)3)16-11-9-15(10-12-16)21-19(23)13-24-18-8-6-5-7-17(18)20/h5-12,14H,4,13H2,1-3H3,(H,21,23)
InChIKeyHGJROQJKTSVGDW-UHFFFAOYSA-N
XLogP4.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.31
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 46558813
2-(2-bromophenoxy)-N-(4-ethoxyphenyl)acetamide
CID 1183062
4-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethoxy]benzamide
CID 51139815
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] pyridine-2-carboxylate
CID 16539849
N-[4-(diethylamino)phenyl]-2-(2-hydroxyphenoxy)acetamide
CID 78776642
2-chloro-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2404780
2-(2-bromophenoxy)-N-(4-phenyldiazenylphenyl)acetamide
CID 7466856
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 6-methylpyridine-3-carboxylate
CID 46519873
2-(2-bromophenoxy)-N-butan-2-ylacetamide
CID 19170000
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(propan-2-ylamino)acetamide
CID 60641040
[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 3683660
methyl N-[2-[4-[ethyl(propan-2-yl)amino]anilino]-2-oxoethyl]carbamate
CID 51088000

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The IUPAC name of 2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide (CID 16518098) is 2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide.
What is the SMILES notation for 2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The canonical SMILES for 2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide is CCN(c1ccc(NC(=O)COc2ccccc2Br)cc1)C(C)C.
What is the InChIKey of 2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
The InChIKey is HGJROQJKTSVGDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O2/c1-4-22(14(2)3)16-11-9-15(10-12-16)21-19(23)13-24-18-8-6-5-7-17(18)20/h5-12,14H,4,13H2,1-3H3,(H,21,23).
What are the key properties of 2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide?
2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide has a molecular weight of 391.31 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenoxy)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide is sourced from PubChem (CID 16518098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).