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

C13H17BrClN3 — CID 81307820

IUPACN-amino-4-bromo-3-chloro-N'-cyclohexylbenzenecarboximidamide
SMILESNN/C(=N\C1CCCCC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H17BrClN3/c14-11-7-6-9(8-12(11)15)13(18-16)17-10-4-2-1-3-5-10/h6-8,10H,1-5,16H2,(H,17,18)
InChIKeyHBKCBVPMQWYRBS-UHFFFAOYSA-N
MW330.66 g/mol
LogP3.65
Rot. Bonds2

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

N-amino-4-bromo-3-chloro-N'-cyclohexylbenzenecarboximidamide (PubChem CID 81307820) has the molecular formula C13H17BrClN3 and a molecular weight of 330.66 g/mol. Its IUPAC name is N-amino-4-bromo-3-chloro-N'-cyclohexylbenzenecarboximidamide.

Molecular Properties

Compound NameN-amino-4-bromo-3-chloro-N'-cyclohexylbenzenecarboximidamide
PubChem CID81307820
Molecular FormulaC13H17BrClN3
Molecular Weight330.66 g/mol
Exact Mass329.03
IUPAC NameN-amino-4-bromo-3-chloro-N'-cyclohexylbenzenecarboximidamide
SMILESNN/C(=N\C1CCCCC1)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H17BrClN3/c14-11-7-6-9(8-12(11)15)13(18-16)17-10-4-2-1-3-5-10/h6-8,10H,1-5,16H2,(H,17,18)
InChIKeyHBKCBVPMQWYRBS-UHFFFAOYSA-N
XLogP3.65
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.66
LogP ≤ 53.65
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'-cyclohexyl-2-fluorobenzenecarboximidamide
CID 61361937
N-amino-5-chloro-N'-cyclohexyl-2-fluorobenzenecarboximidamide
CID 61362740
N-amino-4-bromo-N'-cyclohexyl-3-fluorobenzenecarboximidamide
CID 61704471
N-amino-3-chloro-N'-cyclohexyl-2-fluorobenzenecarboximidamide
CID 81262461
N-amino-3-chloro-N'-cyclohexyl-4-fluorobenzenecarboximidamide
CID 82879215
4-bromo-N'-[(3-chlorophenyl)methyl]benzenecarboximidamide
CID 20706432
4-Bromo-N-(2-chlorobenzyl)benzenecarboximidamide
CID 59251215
5-(4-bromophenyl)-2-[(3-chlorophenyl)methyl]-1H-1,2,4-triazole-3-thione
CID 59903075
5-(4-Bromophenyl)-2-[(3-chlorophenyl)methyl]-1,3-dihydro-1,2,4-triazole
CID 69950757
3-(4-Bromo-3-chlorophenyl)-1,2-dihydro-1,2,4-triazole-3,5-diamine
CID 90030183
4-bromo-N'-[(6-chlorocyclohexa-1,3,5-trien-1-yl)methyl]benzenecarboximidamide
CID 123856383
N,N'-diamino-4-bromo-3-chlorobenzenecarboximidamide
CID 169880727

Frequently Asked Questions

What is the IUPAC name of N-amino-4-bromo-3-chloro-N'-cyclohexylbenzenecarboximidamide?
The IUPAC name of N-amino-4-bromo-3-chloro-N'-cyclohexylbenzenecarboximidamide (CID 81307820) is N-amino-4-bromo-3-chloro-N'-cyclohexylbenzenecarboximidamide.
What is the SMILES notation for N-amino-4-bromo-3-chloro-N'-cyclohexylbenzenecarboximidamide?
The canonical SMILES for N-amino-4-bromo-3-chloro-N'-cyclohexylbenzenecarboximidamide is NN/C(=N\C1CCCCC1)c1ccc(Br)c(Cl)c1.
What is the InChIKey of N-amino-4-bromo-3-chloro-N'-cyclohexylbenzenecarboximidamide?
The InChIKey is HBKCBVPMQWYRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrClN3/c14-11-7-6-9(8-12(11)15)13(18-16)17-10-4-2-1-3-5-10/h6-8,10H,1-5,16H2,(H,17,18).
What are the key properties of N-amino-4-bromo-3-chloro-N'-cyclohexylbenzenecarboximidamide?
N-amino-4-bromo-3-chloro-N'-cyclohexylbenzenecarboximidamide has a molecular weight of 330.66 g/mol, XLogP of 3.65, 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-3-chloro-N'-cyclohexylbenzenecarboximidamide is sourced from PubChem (CID 81307820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).