4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide;ethane;methanol

C13H20BrFN2O — CID 91399851

IUPAC4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide;ethane;methanol
SMILESCC.CO.N/C(=N\C1CC1)c1ccc(Br)cc1F
InChIInChI=1S/C10H10BrFN2.C2H6.CH4O/c11-6-1-4-8(9(12)5-6)10(13)14-7-2-3-7;2*1-2/h1,4-5,7H,2-3H2,(H2,13,14);1-2H3;2H,1H3
InChIKeyXBYBUENJQNEOJP-UHFFFAOYSA-N
MW319.22 g/mol
LogP3.09
Rot. Bonds2

About 4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide;ethane;methanol

4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide;ethane;methanol (PubChem CID 91399851) has the molecular formula C13H20BrFN2O and a molecular weight of 319.22 g/mol. Its IUPAC name is 4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide;ethane;methanol.

Molecular Properties

Compound Name4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide;ethane;methanol
PubChem CID91399851
Molecular FormulaC13H20BrFN2O
Molecular Weight319.22 g/mol
Exact Mass318.07
IUPAC Name4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide;ethane;methanol
SMILESCC.CO.N/C(=N\C1CC1)c1ccc(Br)cc1F
InChIInChI=1S/C10H10BrFN2.C2H6.CH4O/c11-6-1-4-8(9(12)5-6)10(13)14-7-2-3-7;2*1-2/h1,4-5,7H,2-3H2,(H2,13,14);1-2H3;2H,1H3
InChIKeyXBYBUENJQNEOJP-UHFFFAOYSA-N
XLogP3.09
TPSA58.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.22
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'-amino-4-bromo-2-fluorobenzenecarboximidamide
CID 61361560
N'-cyclopropyl-5-fluoro-2-methylbenzenecarboximidamide
CID 63182121
tert-butyl N-[[amino-(4-bromo-2-fluorophenyl)methylidene]amino]-N-methylcarbamate
CID 154026735
tert-butyl N-[[amino-(4-bromo-2-fluorophenyl)methylidene]amino]-N-methylcarbamate;hydrochloride
CID 169430160
4-bromo-2-fluoro-1-(1,2,2-trifluoroethenyl)benzene
CID 139748695
5-bromo-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 123754109
(4-bromo-2-fluorophenyl)-(4-ethylcyclohexyl)methanone
CID 114905882
N-(4-aminocyclohexyl)-4-bromo-2-fluorobenzamide
CID 55062535
(4-bromo-2-fluorophenyl)-(3,5-dimethylcyclohexyl)methanone
CID 114905837
N-[bis(methylsulfanyl)methylidene]-4-bromo-2-fluorobenzamide;4-bromo-2-fluorobenzamide
CID 159160717
4-bromo-2-fluoro-N-(1-oxothian-4-yl)benzamide
CID 113347766
(4-amino-3-methylpiperidin-1-yl)-(4-bromo-2-fluorophenyl)methanone
CID 79879444

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide;ethane;methanol?
The IUPAC name of 4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide;ethane;methanol (CID 91399851) is 4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide;ethane;methanol.
What is the SMILES notation for 4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide;ethane;methanol?
The canonical SMILES for 4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide;ethane;methanol is CC.CO.N/C(=N\C1CC1)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide;ethane;methanol?
The InChIKey is XBYBUENJQNEOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2.C2H6.CH4O/c11-6-1-4-8(9(12)5-6)10(13)14-7-2-3-7;2*1-2/h1,4-5,7H,2-3H2,(H2,13,14);1-2H3;2H,1H3.
What are the key properties of 4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide;ethane;methanol?
4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide;ethane;methanol has a molecular weight of 319.22 g/mol, XLogP of 3.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide;ethane;methanol is sourced from PubChem (CID 91399851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).