2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide

C14H9BrClF2NO — CID 47293530

IUPAC2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(Br)c1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H9BrClF2NO/c15-10-5-8(1-3-12(10)17)6-14(20)19-9-2-4-13(18)11(16)7-9/h1-5,7H,6H2,(H,19,20)
InChIKeyTXYCAEPTOAMSMU-UHFFFAOYSA-N
MW360.59 g/mol
LogP4.56
Rot. Bonds3

About 2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide

2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide (PubChem CID 47293530) has the molecular formula C14H9BrClF2NO and a molecular weight of 360.59 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
PubChem CID47293530
Molecular FormulaC14H9BrClF2NO
Molecular Weight360.59 g/mol
Exact Mass358.95
IUPAC Name2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
SMILESO=C(Cc1ccc(F)c(Br)c1)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C14H9BrClF2NO/c15-10-5-8(1-3-12(10)17)6-14(20)19-9-2-4-13(18)11(16)7-9/h1-5,7H,6H2,(H,19,20)
InChIKeyTXYCAEPTOAMSMU-UHFFFAOYSA-N
XLogP4.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-phenylacetamide
CID 871803
N-(3-bromo-4-fluorophenyl)-2-(4-hydroxyphenyl)acetamide
CID 113257060
N-(3-bromo-4-fluorophenyl)-2-(4-cyanophenyl)acetamide
CID 115661346
2-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9165979
N-(3-chloro-4-fluorophenyl)-2-(2H-tetrazol-5-yl)acetamide
CID 2799348
N-(4-amino-3-bromophenyl)-2-(3,4-difluorophenyl)acetamide
CID 82861408
N-[4-(bromomethyl)phenyl]-2-(3,4-difluorophenyl)acetamide
CID 114310892
2-(3-bromo-4-fluorophenyl)-N-(1H-pyrazol-5-yl)acetamide
CID 47466464
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197
4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
CID 3442191
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
2-[1-(2-bromophenyl)ethylamino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 42914150

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide (CID 47293530) is 2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide is O=C(Cc1ccc(F)c(Br)c1)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide?
The InChIKey is TXYCAEPTOAMSMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BrClF2NO/c15-10-5-8(1-3-12(10)17)6-14(20)19-9-2-4-13(18)11(16)7-9/h1-5,7H,6H2,(H,19,20).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide?
2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide has a molecular weight of 360.59 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 47293530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).