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

C14H11BrClFN2O — CID 9080344

IUPAC2-(3-bromoanilino)-N-(2-chloro-4-fluorophenyl)acetamide
SMILESO=C(CNc1cccc(Br)c1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H11BrClFN2O/c15-9-2-1-3-11(6-9)18-8-14(20)19-13-5-4-10(17)7-12(13)16/h1-7,18H,8H2,(H,19,20)
InChIKeyFKGVFYKAQAUTES-UHFFFAOYSA-N
MW357.61 g/mol
LogP4.29
Rot. Bonds4

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

2-(3-bromoanilino)-N-(2-chloro-4-fluorophenyl)acetamide (PubChem CID 9080344) has the molecular formula C14H11BrClFN2O and a molecular weight of 357.61 g/mol. Its IUPAC name is 2-(3-bromoanilino)-N-(2-chloro-4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-bromoanilino)-N-(2-chloro-4-fluorophenyl)acetamide
PubChem CID9080344
Molecular FormulaC14H11BrClFN2O
Molecular Weight357.61 g/mol
Exact Mass355.97
IUPAC Name2-(3-bromoanilino)-N-(2-chloro-4-fluorophenyl)acetamide
SMILESO=C(CNc1cccc(Br)c1)Nc1ccc(F)cc1Cl
InChIInChI=1S/C14H11BrClFN2O/c15-9-2-1-3-11(6-9)18-8-14(20)19-13-5-4-10(17)7-12(13)16/h1-7,18H,8H2,(H,19,20)
InChIKeyFKGVFYKAQAUTES-UHFFFAOYSA-N
XLogP4.29
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.61
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoanilino)-N-(2-chloro-4-fluorophenyl)acetamide?
The IUPAC name of 2-(3-bromoanilino)-N-(2-chloro-4-fluorophenyl)acetamide (CID 9080344) is 2-(3-bromoanilino)-N-(2-chloro-4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(3-bromoanilino)-N-(2-chloro-4-fluorophenyl)acetamide?
The canonical SMILES for 2-(3-bromoanilino)-N-(2-chloro-4-fluorophenyl)acetamide is O=C(CNc1cccc(Br)c1)Nc1ccc(F)cc1Cl.
What is the InChIKey of 2-(3-bromoanilino)-N-(2-chloro-4-fluorophenyl)acetamide?
The InChIKey is FKGVFYKAQAUTES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFN2O/c15-9-2-1-3-11(6-9)18-8-14(20)19-13-5-4-10(17)7-12(13)16/h1-7,18H,8H2,(H,19,20).
What are the key properties of 2-(3-bromoanilino)-N-(2-chloro-4-fluorophenyl)acetamide?
2-(3-bromoanilino)-N-(2-chloro-4-fluorophenyl)acetamide has a molecular weight of 357.61 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromoanilino)-N-(2-chloro-4-fluorophenyl)acetamide is sourced from PubChem (CID 9080344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).