N,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide

C11H11BrFN3O3 — CID 103707264

IUPACN,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide
SMILESNC(=O)CN(CC(N)=O)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H11BrFN3O3/c12-7-3-6(1-2-8(7)13)11(19)16(4-9(14)17)5-10(15)18/h1-3H,4-5H2,(H2,14,17)(H2,15,18)
InChIKeyIMPQIVAYMHFBRT-UHFFFAOYSA-N
MW332.13 g/mol
LogP0.00
Rot. Bonds5

About N,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide

N,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide (PubChem CID 103707264) has the molecular formula C11H11BrFN3O3 and a molecular weight of 332.13 g/mol. Its IUPAC name is N,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide.

Molecular Properties

Compound NameN,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide
PubChem CID103707264
Molecular FormulaC11H11BrFN3O3
Molecular Weight332.13 g/mol
Exact Mass331.00
IUPAC NameN,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide
SMILESNC(=O)CN(CC(N)=O)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C11H11BrFN3O3/c12-7-3-6(1-2-8(7)13)11(19)16(4-9(14)17)5-10(15)18/h1-3H,4-5H2,(H2,14,17)(H2,15,18)
InChIKeyIMPQIVAYMHFBRT-UHFFFAOYSA-N
XLogP0.00
TPSA106.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.13
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-sulfanylideneethyl)-3-bromo-4-fluoro-N-methylbenzamide
CID 107951195
3-bromo-N,N-dibutyl-4-fluorobenzamide
CID 103706821
2-[(2-amino-2-oxoethyl)-(4-chloro-3-fluorobenzoyl)amino]acetic acid
CID 107998136
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-bromo-N-ethyl-4-fluorobenzamide
CID 107951184
N-(3-amino-3-sulfanylidenepropyl)-3-bromo-4-fluoro-N-(2-methylpropyl)benzamide
CID 107951193
N-[(4-aminophenyl)methyl]-3-bromo-N-ethyl-4-fluorobenzamide
CID 107948752
3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
CID 113339415
N,N-bis(2-amino-2-oxoethyl)-2-bromo-4-fluorobenzamide
CID 55156067
3-bromo-4-fluoro-N-methyl-N-(2-methylbutan-2-yl)benzamide
CID 103707583
methyl 2-[(3-bromo-4-fluorobenzoyl)-methylamino]acetate
CID 103706657
N-(2-amino-2-oxoethyl)-N-ethyl-4-fluorobenzamide
CID 103101753
3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103707119

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide?
The IUPAC name of N,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide (CID 103707264) is N,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide.
What is the SMILES notation for N,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide?
The canonical SMILES for N,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide is NC(=O)CN(CC(N)=O)C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of N,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide?
The InChIKey is IMPQIVAYMHFBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O3/c12-7-3-6(1-2-8(7)13)11(19)16(4-9(14)17)5-10(15)18/h1-3H,4-5H2,(H2,14,17)(H2,15,18).
What are the key properties of N,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide?
N,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide has a molecular weight of 332.13 g/mol, XLogP of 0.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide is sourced from PubChem (CID 103707264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).