N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-2-(3-fluorophenyl)acetamide

C18H18BrFN2O2 — CID 2449922

IUPACN-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-2-(3-fluorophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(Br)cc1)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C18H18BrFN2O2/c1-2-22(18(24)11-13-4-3-5-15(20)10-13)12-17(23)21-16-8-6-14(19)7-9-16/h3-10H,2,11-12H2,1H3,(H,21,23)
InChIKeyLWUHCODRUAGRPU-UHFFFAOYSA-N
MW393.26 g/mol
LogP3.62
Rot. Bonds6

About N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-2-(3-fluorophenyl)acetamide

N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-2-(3-fluorophenyl)acetamide (PubChem CID 2449922) has the molecular formula C18H18BrFN2O2 and a molecular weight of 393.26 g/mol. Its IUPAC name is N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-2-(3-fluorophenyl)acetamide
PubChem CID2449922
Molecular FormulaC18H18BrFN2O2
Molecular Weight393.26 g/mol
Exact Mass392.05
IUPAC NameN-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-2-(3-fluorophenyl)acetamide
SMILESCCN(CC(=O)Nc1ccc(Br)cc1)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C18H18BrFN2O2/c1-2-22(18(24)11-13-4-3-5-15(20)10-13)12-17(23)21-16-8-6-14(19)7-9-16/h3-10H,2,11-12H2,1H3,(H,21,23)
InChIKeyLWUHCODRUAGRPU-UHFFFAOYSA-N
XLogP3.62
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.26
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-2-(3-fluorophenyl)acetamide (CID 2449922) is N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-2-(3-fluorophenyl)acetamide is CCN(CC(=O)Nc1ccc(Br)cc1)C(=O)Cc1cccc(F)c1.
What is the InChIKey of N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-2-(3-fluorophenyl)acetamide?
The InChIKey is LWUHCODRUAGRPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18BrFN2O2/c1-2-22(18(24)11-13-4-3-5-15(20)10-13)12-17(23)21-16-8-6-14(19)7-9-16/h3-10H,2,11-12H2,1H3,(H,21,23).
What are the key properties of N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-2-(3-fluorophenyl)acetamide?
N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-2-(3-fluorophenyl)acetamide has a molecular weight of 393.26 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromoanilino)-2-oxoethyl]-N-ethyl-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 2449922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).