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

C22H19BrN2O4 — CID 55901957

IUPACN-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1cccc(OCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H19BrN2O4/c23-16-9-11-19(12-10-16)28-14-22(27)25-18-7-4-8-20(13-18)29-15-21(26)24-17-5-2-1-3-6-17/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyWHCWDMHRBFXQQW-UHFFFAOYSA-N
MW455.31 g/mol
LogP4.48
Rot. Bonds8

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

N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide (PubChem CID 55901957) has the molecular formula C22H19BrN2O4 and a molecular weight of 455.31 g/mol. Its IUPAC name is N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
PubChem CID55901957
Molecular FormulaC22H19BrN2O4
Molecular Weight455.31 g/mol
Exact Mass454.05
IUPAC NameN-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1)Nc1cccc(OCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C22H19BrN2O4/c23-16-9-11-19(12-10-16)28-14-22(27)25-18-7-4-8-20(13-18)29-15-21(26)24-17-5-2-1-3-6-17/h1-13H,14-15H2,(H,24,26)(H,25,27)
InChIKeyWHCWDMHRBFXQQW-UHFFFAOYSA-N
XLogP4.48
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.31
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenyl)acetamide
CID 55902721
2-(4-bromophenoxy)-N-(3-bromophenyl)acetamide
CID 2631877
2-(4-bromophenoxy)-N-(3-propoxyphenyl)acetamide
CID 17096693
2-(4-bromophenoxy)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154695
2-(4-bromophenoxy)-N-(3-butan-2-yloxyphenyl)acetamide
CID 17161566
ethyl N-[3-[2-(4-bromoanilino)-2-oxoethoxy]phenyl]carbamate
CID 35775899
N-[4-[[2-(4-bromophenoxy)acetyl]amino]phenyl]-2-phenylacetamide
CID 1256496
N-[3-[(2-bromoacetyl)amino]phenyl]-2-phenoxyacetamide
CID 46736695
N-[3-[[2-(4-bromophenoxy)acetyl]amino]phenyl]butanamide
CID 1371979
2-(4-bromophenoxy)-N-[3-[(3-cyanophenyl)methoxy]phenyl]acetamide
CID 39501061
N-[3-[[2-(4-methoxyphenoxy)acetyl]amino]phenyl]-2-phenoxyacetamide
CID 17231339
2-(4-bromophenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1177163

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide?
The IUPAC name of N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide (CID 55901957) is N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide.
What is the SMILES notation for N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide?
The canonical SMILES for N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide is O=C(COc1ccc(Br)cc1)Nc1cccc(OCC(=O)Nc2ccccc2)c1.
What is the InChIKey of N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide?
The InChIKey is WHCWDMHRBFXQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19BrN2O4/c23-16-9-11-19(12-10-16)28-14-22(27)25-18-7-4-8-20(13-18)29-15-21(26)24-17-5-2-1-3-6-17/h1-13H,14-15H2,(H,24,26)(H,25,27).
What are the key properties of N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide?
N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide has a molecular weight of 455.31 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-anilino-2-oxoethoxy)phenyl]-2-(4-bromophenoxy)acetamide is sourced from PubChem (CID 55901957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).