4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide

C15H12BrFN2O3 — CID 78820007

IUPAC4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide
SMILESNC(=O)COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H12BrFN2O3/c16-10-3-6-13(12(17)7-10)19-15(21)9-1-4-11(5-2-9)22-8-14(18)20/h1-7H,8H2,(H2,18,20)(H,19,21)
InChIKeyPUGPYYRMOYIYFX-UHFFFAOYSA-N
MW367.17 g/mol
LogP2.70
Rot. Bonds5

About 4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide

4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide (PubChem CID 78820007) has the molecular formula C15H12BrFN2O3 and a molecular weight of 367.17 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide
PubChem CID78820007
Molecular FormulaC15H12BrFN2O3
Molecular Weight367.17 g/mol
Exact Mass366.00
IUPAC Name4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide
SMILESNC(=O)COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1
InChIInChI=1S/C15H12BrFN2O3/c16-10-3-6-13(12(17)7-10)19-15(21)9-1-4-11(5-2-9)22-8-14(18)20/h1-7H,8H2,(H2,18,20)(H,19,21)
InChIKeyPUGPYYRMOYIYFX-UHFFFAOYSA-N
XLogP2.70
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.17
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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[2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 2-(4-methoxyphenoxy)acetate
CID 2466756
3-amino-N-(4-bromo-2-fluorophenyl)-4-ethoxybenzamide
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N-(4-bromo-2-fluorophenyl)-4-(propanoylamino)benzamide
CID 2991219
4-bromo-N-(2-fluoro-4-hydroxyphenyl)benzamide
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CID 53267565
N-(4-chloro-2-fluorophenyl)-4-ethoxybenzamide
CID 897315
2-amino-N-(4-bromo-2-fluorophenyl)pyridine-4-carboxamide
CID 62151121
N-(4-bromo-2-fluorophenyl)-2-(3-chloro-4-fluorophenoxy)acetamide
CID 4270758
N-(4-bromo-2-fluorophenyl)-4-(butanoylamino)benzamide
CID 1214398
N-(4-bromo-2-fluorophenyl)-6-methoxypyridine-3-carboxamide
CID 134017875
4-(2-amino-2-oxoethoxy)-N-phenylbenzamide
CID 27166758

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide?
The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide (CID 78820007) is 4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide.
What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide?
The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide is NC(=O)COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1.
What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide?
The InChIKey is PUGPYYRMOYIYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrFN2O3/c16-10-3-6-13(12(17)7-10)19-15(21)9-1-4-11(5-2-9)22-8-14(18)20/h1-7H,8H2,(H2,18,20)(H,19,21).
What are the key properties of 4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide?
4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide has a molecular weight of 367.17 g/mol, XLogP of 2.70, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-2-oxoethoxy)-N-(4-bromo-2-fluorophenyl)benzamide is sourced from PubChem (CID 78820007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).