N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide

C22H21BrN2O3 — CID 54821631

IUPACN-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
SMILESO=C(CNc1ccc(OCCOc2ccccc2)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C22H21BrN2O3/c23-17-6-8-19(9-7-17)25-22(26)16-24-18-10-12-21(13-11-18)28-15-14-27-20-4-2-1-3-5-20/h1-13,24H,14-16H2,(H,25,26)
InChIKeyFLRULEFFEAVDBY-UHFFFAOYSA-N
MW441.33 g/mol
LogP4.96
Rot. Bonds9

About N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide

N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide (PubChem CID 54821631) has the molecular formula C22H21BrN2O3 and a molecular weight of 441.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
PubChem CID54821631
Molecular FormulaC22H21BrN2O3
Molecular Weight441.33 g/mol
Exact Mass440.07
IUPAC NameN-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
SMILESO=C(CNc1ccc(OCCOc2ccccc2)cc1)Nc1ccc(Br)cc1
InChIInChI=1S/C22H21BrN2O3/c23-17-6-8-19(9-7-17)25-22(26)16-24-18-10-12-21(13-11-18)28-15-14-27-20-4-2-1-3-5-20/h1-13,24H,14-16H2,(H,25,26)
InChIKeyFLRULEFFEAVDBY-UHFFFAOYSA-N
XLogP4.96
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.33
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2-phenoxyethoxy)anilino]-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54823077
N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54835679
N-(4-methoxyphenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide
CID 54823074
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]butanamide
CID 54822685
N-[4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]phenyl]-3-phenylpropanamide
CID 54823082
2-methyl-N-[4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]phenyl]propanamide
CID 54830534
N-methyl-4-[[2-[4-(2-phenoxyethoxy)anilino]acetyl]amino]benzamide
CID 54823116
N-ethyl-4-[[2-oxo-2-[4-(2-phenoxyethoxy)anilino]ethyl]amino]benzamide
CID 54839113
2-[4-(2-methoxyethoxy)anilino]-N-[4-(2-phenylethoxy)phenyl]acetamide
CID 54822166
N-[4-(2-ethoxyethoxy)phenyl]-2-[3-(2-phenoxyethoxy)anilino]acetamide
CID 54825982
2-(2-chloroanilino)-N-[4-(2-phenoxyethoxy)phenyl]acetamide
CID 54810242
2-(4-heptoxyanilino)-N-(4-phenoxyphenyl)acetamide
CID 54821713

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide?
The IUPAC name of N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide (CID 54821631) is N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide is O=C(CNc1ccc(OCCOc2ccccc2)cc1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide?
The InChIKey is FLRULEFFEAVDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21BrN2O3/c23-17-6-8-19(9-7-17)25-22(26)16-24-18-10-12-21(13-11-18)28-15-14-27-20-4-2-1-3-5-20/h1-13,24H,14-16H2,(H,25,26).
What are the key properties of N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide?
N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide has a molecular weight of 441.33 g/mol, XLogP of 4.96, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[4-(2-phenoxyethoxy)anilino]acetamide is sourced from PubChem (CID 54821631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).