N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide

C22H19BrN2O3 — CID 55902721

IUPACN-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide
SMILESO=C(COc1cccc(NC(=O)Cc2ccc(Br)cc2)c1)Nc1ccccc1
InChIInChI=1S/C22H19BrN2O3/c23-17-11-9-16(10-12-17)13-21(26)25-19-7-4-8-20(14-19)28-15-22(27)24-18-5-2-1-3-6-18/h1-12,14H,13,15H2,(H,24,27)(H,25,26)
InChIKeyAPSGZXPXTNFNSS-UHFFFAOYSA-N
MW439.31 g/mol
LogP4.65
Rot. Bonds7

About N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide

N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide (PubChem CID 55902721) has the molecular formula C22H19BrN2O3 and a molecular weight of 439.31 g/mol. Its IUPAC name is N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide
PubChem CID55902721
Molecular FormulaC22H19BrN2O3
Molecular Weight439.31 g/mol
Exact Mass438.06
IUPAC NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide
SMILESO=C(COc1cccc(NC(=O)Cc2ccc(Br)cc2)c1)Nc1ccccc1
InChIInChI=1S/C22H19BrN2O3/c23-17-11-9-16(10-12-17)13-21(26)25-19-7-4-8-20(14-19)28-15-22(27)24-18-5-2-1-3-6-18/h1-12,14H,13,15H2,(H,24,27)(H,25,26)
InChIKeyAPSGZXPXTNFNSS-UHFFFAOYSA-N
XLogP4.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.31
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
CID 55901957
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 1256496
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638
ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate
CID 35775899
methyl 2-[3-[(2-phenylacetyl)amino]phenoxy]acetate
CID 891990
2-(4-bromophenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096693
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
2-(4-bromophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154695
[3-[(2-phenoxyacetyl)amino]phenyl] acetate
CID 6472442
2-(4-chlorophenyl)-N-[3-(2-phenoxyethoxy)phenyl]acetamide
CID 17123541
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide
CID 46736695

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide?
The IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide (CID 55902721) is N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide.
What is the SMILES notation for N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide?
The canonical SMILES for N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide is O=C(COc1cccc(NC(=O)Cc2ccc(Br)cc2)c1)Nc1ccccc1.
What is the InChIKey of N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide?
The InChIKey is APSGZXPXTNFNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O3/c23-17-11-9-16(10-12-17)13-21(26)25-19-7-4-8-20(14-19)28-15-22(27)24-18-5-2-1-3-6-18/h1-12,14H,13,15H2,(H,24,27)(H,25,26).
What are the key properties of N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide?
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide has a molecular weight of 439.31 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide is sourced from PubChem (CID 55902721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).