N-amino-4-bromo-3-chloro-N'-propylbenzenecarboximidamide

C10H13BrClN3 — CID 81307492

IUPACN-amino-4-bromo-3-chloro-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\NN)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H13BrClN3/c1-2-5-14-10(15-13)7-3-4-8(11)9(12)6-7/h3-4,6H,2,5,13H2,1H3,(H,14,15)
InChIKeyFNMRNIDSVVFONY-UHFFFAOYSA-N
MW290.59 g/mol
LogP2.72
Rot. Bonds3

About N-amino-4-bromo-3-chloro-N'-propylbenzenecarboximidamide

N-amino-4-bromo-3-chloro-N'-propylbenzenecarboximidamide (PubChem CID 81307492) has the molecular formula C10H13BrClN3 and a molecular weight of 290.59 g/mol. Its IUPAC name is N-amino-4-bromo-3-chloro-N'-propylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-4-bromo-3-chloro-N'-propylbenzenecarboximidamide
PubChem CID81307492
Molecular FormulaC10H13BrClN3
Molecular Weight290.59 g/mol
Exact Mass289.00
IUPAC NameN-amino-4-bromo-3-chloro-N'-propylbenzenecarboximidamide
SMILESCCC/N=C(\NN)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C10H13BrClN3/c1-2-5-14-10(15-13)7-3-4-8(11)9(12)6-7/h3-4,6H,2,5,13H2,1H3,(H,14,15)
InChIKeyFNMRNIDSVVFONY-UHFFFAOYSA-N
XLogP2.72
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.59
LogP ≤ 52.72
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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Frequently Asked Questions

What is the IUPAC name of N-amino-4-bromo-3-chloro-N'-propylbenzenecarboximidamide?
The IUPAC name of N-amino-4-bromo-3-chloro-N'-propylbenzenecarboximidamide (CID 81307492) is N-amino-4-bromo-3-chloro-N'-propylbenzenecarboximidamide.
What is the SMILES notation for N-amino-4-bromo-3-chloro-N'-propylbenzenecarboximidamide?
The canonical SMILES for N-amino-4-bromo-3-chloro-N'-propylbenzenecarboximidamide is CCC/N=C(\NN)c1ccc(Br)c(Cl)c1.
What is the InChIKey of N-amino-4-bromo-3-chloro-N'-propylbenzenecarboximidamide?
The InChIKey is FNMRNIDSVVFONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClN3/c1-2-5-14-10(15-13)7-3-4-8(11)9(12)6-7/h3-4,6H,2,5,13H2,1H3,(H,14,15).
What are the key properties of N-amino-4-bromo-3-chloro-N'-propylbenzenecarboximidamide?
N-amino-4-bromo-3-chloro-N'-propylbenzenecarboximidamide has a molecular weight of 290.59 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-4-bromo-3-chloro-N'-propylbenzenecarboximidamide is sourced from PubChem (CID 81307492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).