N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide

C17H17BrClNO2 — CID 53267518

IUPACN-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C17H17BrClNO2/c1-11(2)12-3-6-14(7-4-12)22-10-17(21)20-16-8-5-13(18)9-15(16)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyYTMUGQVBOVUGBT-UHFFFAOYSA-N
MW382.69 g/mol
LogP5.24
Rot. Bonds5

About N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide

N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide (PubChem CID 53267518) has the molecular formula C17H17BrClNO2 and a molecular weight of 382.69 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
PubChem CID53267518
Molecular FormulaC17H17BrClNO2
Molecular Weight382.69 g/mol
Exact Mass381.01
IUPAC NameN-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
SMILESCC(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)cc1
InChIInChI=1S/C17H17BrClNO2/c1-11(2)12-3-6-14(7-4-12)22-10-17(21)20-16-8-5-13(18)9-15(16)19/h3-9,11H,10H2,1-2H3,(H,20,21)
InChIKeyYTMUGQVBOVUGBT-UHFFFAOYSA-N
XLogP5.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.69
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 26216318
N-(4-bromo-2-chlorophenyl)-2-[4-(methylamino)phenoxy]acetamide
CID 61028460
methyl 5-bromo-2-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 19168722
2-(4-bromophenoxy)-N-(4-propan-2-ylphenyl)acetamide
CID 759062
ethyl 3-chloro-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 99949279
N-(4-amino-2,5-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 50881877
N-(4-bromo-2-chlorophenyl)-3-(4-propan-2-ylphenyl)propanamide
CID 53267799
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(2,4-dichlorophenyl)acetamide
CID 40666473
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide
CID 1226590
N-(4-bromo-2-chlorophenyl)-2-(3-fluorophenoxy)acetamide
CID 8863320
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(2-chloro-4-fluorophenyl)acetamide
CID 7643302
methyl 5-chloro-2-methoxy-4-[[2-(4-propan-2-ylphenoxy)acetyl]amino]benzoate
CID 19170715

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide (CID 53267518) is N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide is CC(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2Cl)cc1.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
The InChIKey is YTMUGQVBOVUGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrClNO2/c1-11(2)12-3-6-14(7-4-12)22-10-17(21)20-16-8-5-13(18)9-15(16)19/h3-9,11H,10H2,1-2H3,(H,20,21).
What are the key properties of N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide?
N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide has a molecular weight of 382.69 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)-2-(4-propan-2-ylphenoxy)acetamide is sourced from PubChem (CID 53267518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).