N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide

C18H15BrClF2NO4 — CID 16613998

IUPACN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2cc(Cl)cc(Br)c2OC(F)F)cc1
InChIInChI=1S/C18H15BrClF2NO4/c1-2-15(24)10-3-5-12(6-4-10)26-9-16(25)23-14-8-11(20)7-13(19)17(14)27-18(21)22/h3-8,18H,2,9H2,1H3,(H,23,25)
InChIKeyGGGXGTIDGWSEDL-UHFFFAOYSA-N
MW462.67 g/mol
LogP5.31
Rot. Bonds8

About N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide

N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide (PubChem CID 16613998) has the molecular formula C18H15BrClF2NO4 and a molecular weight of 462.67 g/mol. Its IUPAC name is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide.

Molecular Properties

Compound NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
PubChem CID16613998
Molecular FormulaC18H15BrClF2NO4
Molecular Weight462.67 g/mol
Exact Mass460.98
IUPAC NameN-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide
SMILESCCC(=O)c1ccc(OCC(=O)Nc2cc(Cl)cc(Br)c2OC(F)F)cc1
InChIInChI=1S/C18H15BrClF2NO4/c1-2-15(24)10-3-5-12(6-4-10)26-9-16(25)23-14-8-11(20)7-13(19)17(14)27-18(21)22/h3-8,18H,2,9H2,1H3,(H,23,25)
InChIKeyGGGXGTIDGWSEDL-UHFFFAOYSA-N
XLogP5.31
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.67
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-methyl-2-oxochromen-7-yl)oxyacetamide
CID 16613987
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-chloroacetamide
CID 43698111
N-(2,5-dibromophenyl)-2-(4-propanoylphenoxy)acetamide
CID 39166764
N-(4-bromo-2-fluorophenyl)-2-(4-propanoylphenoxy)acetamide
CID 2711563
3-amino-N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]butanamide
CID 60836516
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-fluorobenzamide
CID 16613952
N-(2-chloro-4-iodophenyl)-2-(4-propanoylphenoxy)acetamide
CID 55677230
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-4-(methoxymethyl)benzamide
CID 18287143
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-2-(4-propanoylphenoxy)acetamide
CID 7551811
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(2-fluorophenyl)acetamide
CID 16613982
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(4-propanoylphenoxy)acetate
CID 9326721
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-3,5-dimethoxybenzamide
CID 16613969

Frequently Asked Questions

What is the IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide?
The IUPAC name of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide (CID 16613998) is N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide.
What is the SMILES notation for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide?
The canonical SMILES for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide is CCC(=O)c1ccc(OCC(=O)Nc2cc(Cl)cc(Br)c2OC(F)F)cc1.
What is the InChIKey of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide?
The InChIKey is GGGXGTIDGWSEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClF2NO4/c1-2-15(24)10-3-5-12(6-4-10)26-9-16(25)23-14-8-11(20)7-13(19)17(14)27-18(21)22/h3-8,18H,2,9H2,1H3,(H,23,25).
What are the key properties of N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide?
N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide has a molecular weight of 462.67 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-bromo-5-chloro-2-(difluoromethoxy)phenyl]-2-(4-propanoylphenoxy)acetamide is sourced from PubChem (CID 16613998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).