N-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide

C14H19BrFN3 — CID 61360532

IUPACN-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide
SMILESNN/C(=N\C1CCCCCC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H19BrFN3/c15-11-7-10(8-12(16)9-11)14(19-17)18-13-5-3-1-2-4-6-13/h7-9,13H,1-6,17H2,(H,18,19)
InChIKeySEYOBGAOVYUWOM-UHFFFAOYSA-N
MW328.23 g/mol
LogP3.52
Rot. Bonds2

About N-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide

N-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide (PubChem CID 61360532) has the molecular formula C14H19BrFN3 and a molecular weight of 328.23 g/mol. Its IUPAC name is N-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide
PubChem CID61360532
Molecular FormulaC14H19BrFN3
Molecular Weight328.23 g/mol
Exact Mass327.07
IUPAC NameN-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide
SMILESNN/C(=N\C1CCCCCC1)c1cc(F)cc(Br)c1
InChIInChI=1S/C14H19BrFN3/c15-11-7-10(8-12(16)9-11)14(19-17)18-13-5-3-1-2-4-6-13/h7-9,13H,1-6,17H2,(H,18,19)
InChIKeySEYOBGAOVYUWOM-UHFFFAOYSA-N
XLogP3.52
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-amino-4-bromo-N'-cyclohexylbenzenecarboximidamide
CID 61363305
N-amino-N'-cyclopentyl-4-fluorobenzenecarboximidamide
CID 61362919
N-amino-N'-cycloheptyl-3,5-dimethoxybenzenecarboximidamide
CID 61363513
N-amino-4-bromo-3-chloro-N'-cyclohexylbenzenecarboximidamide
CID 81307820
N-amino-N'-cycloheptyl-2,4-difluorobenzenecarboximidamide
CID 61361337
N-amino-N'-cycloheptylpyridine-4-carboximidamide
CID 61361751
N-amino-N'-cyclohexyl-5-iodothiophene-3-carboximidamide
CID 79684408
N-amino-3,4-dichloro-N'-cyclohexylbenzenecarboximidamide
CID 61361117
N-amino-N'-cyclohexyl-4-fluoro-3-methoxybenzenecarboximidamide
CID 81284145
N-amino-N'-cycloheptyl-5-fluoro-2-methylbenzenecarboximidamide
CID 63049159
3-bromo-N-cyclopentyloxy-5-fluorobenzamide
CID 83202919
1-amino-2-cyclohexyl-3-(3-fluoro-5-methylphenyl)guanidine
CID 116515705

Frequently Asked Questions

What is the IUPAC name of N-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide?
The IUPAC name of N-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide (CID 61360532) is N-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide.
What is the SMILES notation for N-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide?
The canonical SMILES for N-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide is NN/C(=N\C1CCCCCC1)c1cc(F)cc(Br)c1.
What is the InChIKey of N-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide?
The InChIKey is SEYOBGAOVYUWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN3/c15-11-7-10(8-12(16)9-11)14(19-17)18-13-5-3-1-2-4-6-13/h7-9,13H,1-6,17H2,(H,18,19).
What are the key properties of N-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide?
N-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide has a molecular weight of 328.23 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-bromo-N'-cycloheptyl-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 61360532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).