N-amino-4-bromo-N'-cyclopentyl-2-fluorobenzenecarboximidamide

C12H15BrFN3 — CID 61361521

IUPACN-amino-4-bromo-N'-cyclopentyl-2-fluorobenzenecarboximidamide
SMILESNN/C(=N\C1CCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFN3/c13-8-5-6-10(11(14)7-8)12(17-15)16-9-3-1-2-4-9/h5-7,9H,1-4,15H2,(H,16,17)
InChIKeyAFCGPNUCWDYGRF-UHFFFAOYSA-N
MW300.17 g/mol
LogP2.74
Rot. Bonds2

About N-amino-4-bromo-N'-cyclopentyl-2-fluorobenzenecarboximidamide

N-amino-4-bromo-N'-cyclopentyl-2-fluorobenzenecarboximidamide (PubChem CID 61361521) has the molecular formula C12H15BrFN3 and a molecular weight of 300.17 g/mol. Its IUPAC name is N-amino-4-bromo-N'-cyclopentyl-2-fluorobenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-4-bromo-N'-cyclopentyl-2-fluorobenzenecarboximidamide
PubChem CID61361521
Molecular FormulaC12H15BrFN3
Molecular Weight300.17 g/mol
Exact Mass299.04
IUPAC NameN-amino-4-bromo-N'-cyclopentyl-2-fluorobenzenecarboximidamide
SMILESNN/C(=N\C1CCCC1)c1ccc(Br)cc1F
InChIInChI=1S/C12H15BrFN3/c13-8-5-6-10(11(14)7-8)12(17-15)16-9-3-1-2-4-9/h5-7,9H,1-4,15H2,(H,16,17)
InChIKeyAFCGPNUCWDYGRF-UHFFFAOYSA-N
XLogP2.74
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 52.74
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

5-(4-Bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 853332
4-bromo-N'-cyclopropyl-2-fluorobenzenecarboximidamide
CID 58830633
N-amino-4-bromo-2-fluoro-N'-methylbenzenecarboximidamide
CID 58955318
5-(4-Bromo-2-fluorophenyl)-2-methyl-1,3-dihydrotetrazole
CID 68430121
4-Bromo-N-cyclopropyl-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 85924786
3-(4-Bromo-3,5-difluorophenyl)-1,2-dihydro-1,2,4-triazole-3,5-diamine
CID 90030842
4-bromo-2-fluoro-N'-methylbenzenecarboximidamide
CID 90439651
N'-amino-4-bromo-2-fluorobenzenecarboximidamide
CID 112498892
4-bromo-N'-butyl-2-fluorobenzenecarboximidamide
CID 123861106
[3-(4-bromo-2,6-difluorophenyl)-3,4-dihydro-2H-pyrrol-5-yl]hydrazine
CID 134532036
4-bromo-3-fluoro-N'-methanimidoylbenzenecarboximidamide
CID 143629562
(Z)-3-amino-3-(4-bromo-2-fluorophenyl)-2-cyano-N'-cyclopentylprop-2-enimidamide
CID 145674788

Frequently Asked Questions

What is the IUPAC name of N-amino-4-bromo-N'-cyclopentyl-2-fluorobenzenecarboximidamide?
The IUPAC name of N-amino-4-bromo-N'-cyclopentyl-2-fluorobenzenecarboximidamide (CID 61361521) is N-amino-4-bromo-N'-cyclopentyl-2-fluorobenzenecarboximidamide.
What is the SMILES notation for N-amino-4-bromo-N'-cyclopentyl-2-fluorobenzenecarboximidamide?
The canonical SMILES for N-amino-4-bromo-N'-cyclopentyl-2-fluorobenzenecarboximidamide is NN/C(=N\C1CCCC1)c1ccc(Br)cc1F.
What is the InChIKey of N-amino-4-bromo-N'-cyclopentyl-2-fluorobenzenecarboximidamide?
The InChIKey is AFCGPNUCWDYGRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFN3/c13-8-5-6-10(11(14)7-8)12(17-15)16-9-3-1-2-4-9/h5-7,9H,1-4,15H2,(H,16,17).
What are the key properties of N-amino-4-bromo-N'-cyclopentyl-2-fluorobenzenecarboximidamide?
N-amino-4-bromo-N'-cyclopentyl-2-fluorobenzenecarboximidamide has a molecular weight of 300.17 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-bromo-N'-cyclopentyl-2-fluorobenzenecarboximidamide is sourced from PubChem (CID 61361521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).