2-bromo-N,N-diethyl-5-fluorobenzenecarboximidamide

C11H14BrFN2 — CID 107924400

IUPAC2-bromo-N,N-diethyl-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(/c1cc(F)ccc1Br)N(CC)CC
InChIInChI=1S/C11H14BrFN2/c1-3-15(4-2)11(14)9-7-8(13)5-6-10(9)12/h5-7,14H,3-4H2,1-2H3/b14-11-
InChIKeyKRLVCQOVFILWTK-KAMYIIQDSA-N
MW273.15 g/mol
LogP3.26
Rot. Bonds3

About 2-bromo-N,N-diethyl-5-fluorobenzenecarboximidamide

2-bromo-N,N-diethyl-5-fluorobenzenecarboximidamide (PubChem CID 107924400) has the molecular formula C11H14BrFN2 and a molecular weight of 273.15 g/mol. Its IUPAC name is 2-bromo-N,N-diethyl-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-N,N-diethyl-5-fluorobenzenecarboximidamide
PubChem CID107924400
Molecular FormulaC11H14BrFN2
Molecular Weight273.15 g/mol
Exact Mass272.03
IUPAC Name2-bromo-N,N-diethyl-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(/c1cc(F)ccc1Br)N(CC)CC
InChIInChI=1S/C11H14BrFN2/c1-3-15(4-2)11(14)9-7-8(13)5-6-10(9)12/h5-7,14H,3-4H2,1-2H3/b14-11-
InChIKeyKRLVCQOVFILWTK-KAMYIIQDSA-N
XLogP3.26
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.15
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-5-fluoro-2-methylbenzenecarboximidamide
CID 63179121
N,N-diethyl-4-fluoro-2-methylbenzenecarboximidamide
CID 81278294
ethyl 2-bromo-5-fluorobenzenecarboximidate
CID 91755515
2,4-difluoro-N,N-dipropylbenzenecarboximidamide
CID 141399914
3-[3-[(2-bromo-5-fluorobenzoyl)amino]propanoyl-ethylamino]propanoic acid
CID 119191093
4-bromo-N,N-diethyl-3,5-dimethylbenzenecarboximidamide
CID 114331154
N,N-diethyl-3-fluoro-4-methylbenzenecarboximidamide
CID 63179168
1-(2-bromo-5-fluorophenyl)ethanone
CID 22736080
2-[(2-bromo-5-fluorobenzoyl)-ethylamino]-2-methylpropanoic acid
CID 62825454
2-bromo-5-fluoro-N-methyl-N-(2-methylbutyl)benzamide
CID 43296128
2-bromo-5-fluoro-N,N-bis(2-hydroxyethyl)benzamide
CID 60955626
2-bromo-4,5-difluoro-N,N-dimethylbenzenecarboximidamide
CID 130543187

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N,N-diethyl-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-bromo-N,N-diethyl-5-fluorobenzenecarboximidamide (CID 107924400) is 2-bromo-N,N-diethyl-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-bromo-N,N-diethyl-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-bromo-N,N-diethyl-5-fluorobenzenecarboximidamide is [H]/N=C(/c1cc(F)ccc1Br)N(CC)CC.
What is the InChIKey of 2-bromo-N,N-diethyl-5-fluorobenzenecarboximidamide?
The InChIKey is KRLVCQOVFILWTK-KAMYIIQDSA-N. The full InChI is InChI=1S/C11H14BrFN2/c1-3-15(4-2)11(14)9-7-8(13)5-6-10(9)12/h5-7,14H,3-4H2,1-2H3/b14-11-.
What are the key properties of 2-bromo-N,N-diethyl-5-fluorobenzenecarboximidamide?
2-bromo-N,N-diethyl-5-fluorobenzenecarboximidamide has a molecular weight of 273.15 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N,N-diethyl-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 107924400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).