N-(2-bromophenyl)-2-(4-chloro-2-propanoylphenoxy)acetamide

C17H15BrClNO3 — CID 7993591

IUPACN-(2-bromophenyl)-2-(4-chloro-2-propanoylphenoxy)acetamide
SMILESCCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1Br
InChIInChI=1S/C17H15BrClNO3/c1-2-15(21)12-9-11(19)7-8-16(12)23-10-17(22)20-14-6-4-3-5-13(14)18/h3-9H,2,10H2,1H3,(H,20,22)
InChIKeyWDEILRJEPCWUDR-UHFFFAOYSA-N
MW396.67 g/mol
LogP4.71
Rot. Bonds6

About N-(2-bromophenyl)-2-(4-chloro-2-propanoylphenoxy)acetamide

N-(2-bromophenyl)-2-(4-chloro-2-propanoylphenoxy)acetamide (PubChem CID 7993591) has the molecular formula C17H15BrClNO3 and a molecular weight of 396.67 g/mol. Its IUPAC name is N-(2-bromophenyl)-2-(4-chloro-2-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-2-(4-chloro-2-propanoylphenoxy)acetamide
PubChem CID7993591
Molecular FormulaC17H15BrClNO3
Molecular Weight396.67 g/mol
Exact Mass394.99
IUPAC NameN-(2-bromophenyl)-2-(4-chloro-2-propanoylphenoxy)acetamide
SMILESCCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1Br
InChIInChI=1S/C17H15BrClNO3/c1-2-15(21)12-9-11(19)7-8-16(12)23-10-17(22)20-14-6-4-3-5-13(14)18/h3-9H,2,10H2,1H3,(H,20,22)
InChIKeyWDEILRJEPCWUDR-UHFFFAOYSA-N
XLogP4.71
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.67
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]benzoate
CID 1213645
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxyphenyl)acetamide
CID 1367163
2-(2-bromo-4-chlorophenoxy)-N-(2-fluorophenyl)acetamide
CID 2627508
ethyl 2-[[2-(2-acetyl-4-chlorophenoxy)acetyl]amino]benzoate
CID 7167831
2-(2-bromo-4-chlorophenoxy)-N-[2-(hydroxymethyl)phenyl]acetamide
CID 1213643
N-[3-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2-methylphenyl]propanamide
CID 38300862
2-(2,4-dichlorophenoxy)-N-[2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]phenyl]acetamide
CID 2198238
2-[2-bromo-4-(hydroxymethyl)phenoxy]-N-(2-bromophenyl)acetamide
CID 63052653
2-(2-benzoyl-4-chlorophenoxy)-N-(2-methylphenyl)acetamide;ethane
CID 142824393
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-(2-bromo-4-butan-2-ylphenoxy)-N-(2-bromophenyl)acetamide
CID 17189524
2-(2-bromo-4-chlorophenoxy)-N-(2-ethoxy-3-pyridinyl)acetamide
CID 34877130

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-2-(4-chloro-2-propanoylphenoxy)acetamide?
The IUPAC name of N-(2-bromophenyl)-2-(4-chloro-2-propanoylphenoxy)acetamide (CID 7993591) is N-(2-bromophenyl)-2-(4-chloro-2-propanoylphenoxy)acetamide.
What is the SMILES notation for N-(2-bromophenyl)-2-(4-chloro-2-propanoylphenoxy)acetamide?
The canonical SMILES for N-(2-bromophenyl)-2-(4-chloro-2-propanoylphenoxy)acetamide is CCC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1Br.
What is the InChIKey of N-(2-bromophenyl)-2-(4-chloro-2-propanoylphenoxy)acetamide?
The InChIKey is WDEILRJEPCWUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrClNO3/c1-2-15(21)12-9-11(19)7-8-16(12)23-10-17(22)20-14-6-4-3-5-13(14)18/h3-9H,2,10H2,1H3,(H,20,22).
What are the key properties of N-(2-bromophenyl)-2-(4-chloro-2-propanoylphenoxy)acetamide?
N-(2-bromophenyl)-2-(4-chloro-2-propanoylphenoxy)acetamide has a molecular weight of 396.67 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-2-(4-chloro-2-propanoylphenoxy)acetamide is sourced from PubChem (CID 7993591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).