4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide

C15H13BrF2N2O — CID 65468967

IUPAC4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide
SMILESNCCc1ccc(C(=O)Nc2c(F)cc(Br)cc2F)cc1
InChIInChI=1S/C15H13BrF2N2O/c16-11-7-12(17)14(13(18)8-11)20-15(21)10-3-1-9(2-4-10)5-6-19/h1-4,7-8H,5-6,19H2,(H,20,21)
InChIKeyRMKUUUWFPVFEOE-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.48
Rot. Bonds4

About 4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide

4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide (PubChem CID 65468967) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide
PubChem CID65468967
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide
SMILESNCCc1ccc(C(=O)Nc2c(F)cc(Br)cc2F)cc1
InChIInChI=1S/C15H13BrF2N2O/c16-11-7-12(17)14(13(18)8-11)20-15(21)10-3-1-9(2-4-10)5-6-19/h1-4,7-8H,5-6,19H2,(H,20,21)
InChIKeyRMKUUUWFPVFEOE-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dibromo-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 107972354
4-(aminomethyl)-N-(4-bromo-2,6-dichlorophenyl)benzamide
CID 28993465
N-(4-bromo-2,6-difluorophenyl)-5-chlorofuran-2-carboxamide
CID 65498748
4-(2-aminoethyl)-N-(2-chloro-5-fluorophenyl)benzamide
CID 107528464
N-(4-bromo-2,6-dichlorophenyl)-4-(bromomethyl)benzamide
CID 102850859
N-(4-bromo-2,6-difluorophenyl)-3-chloro-4-iodobenzamide
CID 103220871
N-(2-bromo-4,6-difluorophenyl)-4-(bromomethyl)benzamide
CID 102850915
N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 60651944
2,4-diamino-N-(4-bromo-2,6-difluorophenyl)benzamide
CID 65469243
2-bromo-N-(4-bromo-2,6-difluorophenyl)pyridine-4-carboxamide
CID 103759038
2-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 66389198
N-(4-bromo-2,6-difluorophenyl)-2,6-difluorobenzamide
CID 2197858

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide (CID 65468967) is 4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide is NCCc1ccc(C(=O)Nc2c(F)cc(Br)cc2F)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide?
The InChIKey is RMKUUUWFPVFEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c16-11-7-12(17)14(13(18)8-11)20-15(21)10-3-1-9(2-4-10)5-6-19/h1-4,7-8H,5-6,19H2,(H,20,21).
What are the key properties of 4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide?
4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide has a molecular weight of 355.18 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)benzamide is sourced from PubChem (CID 65468967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).