N,N'-diamino-4-bromo-5-chloro-3-morpholin-4-yl-1-phenylindole-2-carboximidamide

C19H20BrClN6O — CID 155377292

IUPACN,N'-diamino-4-bromo-5-chloro-3-morpholin-4-yl-1-phenylindole-2-carboximidamide
SMILESN/N=C(\NN)c1c(N2CCOCC2)c2c(Br)c(Cl)ccc2n1-c1ccccc1
InChIInChI=1S/C19H20BrClN6O/c20-16-13(21)6-7-14-15(16)17(26-8-10-28-11-9-26)18(19(24-22)25-23)27(14)12-4-2-1-3-5-12/h1-7H,8-11,22-23H2,(H,24,25)
InChIKeyQUZZEXPJBAKUNR-UHFFFAOYSA-N
MW463.77 g/mol
LogP2.97
Rot. Bonds3

About N,N'-diamino-4-bromo-5-chloro-3-morpholin-4-yl-1-phenylindole-2-carboximidamide

N,N'-diamino-4-bromo-5-chloro-3-morpholin-4-yl-1-phenylindole-2-carboximidamide (PubChem CID 155377292) has the molecular formula C19H20BrClN6O and a molecular weight of 463.77 g/mol. Its IUPAC name is N,N'-diamino-4-bromo-5-chloro-3-morpholin-4-yl-1-phenylindole-2-carboximidamide.

Molecular Properties

Compound NameN,N'-diamino-4-bromo-5-chloro-3-morpholin-4-yl-1-phenylindole-2-carboximidamide
PubChem CID155377292
Molecular FormulaC19H20BrClN6O
Molecular Weight463.77 g/mol
Exact Mass462.06
IUPAC NameN,N'-diamino-4-bromo-5-chloro-3-morpholin-4-yl-1-phenylindole-2-carboximidamide
SMILESN/N=C(\NN)c1c(N2CCOCC2)c2c(Br)c(Cl)ccc2n1-c1ccccc1
InChIInChI=1S/C19H20BrClN6O/c20-16-13(21)6-7-14-15(16)17(26-8-10-28-11-9-26)18(19(24-22)25-23)27(14)12-4-2-1-3-5-12/h1-7H,8-11,22-23H2,(H,24,25)
InChIKeyQUZZEXPJBAKUNR-UHFFFAOYSA-N
XLogP2.97
TPSA93.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.77
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

methyl 4-chloro-5-fluoro-3-morpholin-4-yl-1-phenylindole-2-carboxylate
CID 155377011
6-bromo-3-chloro-2-morpholin-4-ylaniline
CID 106701530
3-phenyl-1,3-oxazolidine
CID 519787
3-chloro-2-morpholin-4-ylaniline
CID 952393
2-chloro-N'-(3-chloro-2-morpholin-4-ylphenyl)ethanimidamide
CID 169367595
1-(3,4-dichlorophenyl)-2-[(5-morpholin-4-yl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 60598365
3-bromo-1-phenylindole-2-carboxylic acid
CID 102533933
8-chloro-N-(4-morpholin-4-ylphenyl)naphthalene-1-sulfonamide
CID 25037325
4-chloro-3-morpholin-4-ylbenzohydrazide
CID 7148384
N-(3-chloro-2-morpholin-4-ylphenyl)-2-hydroxy-2-phenylacetamide
CID 111432211
4-chloro-3-fluoro-2-morpholin-4-ylaniline
CID 99802274
N-(2-chloro-5-morpholin-4-ylphenyl)benzenesulfonamide
CID 110362791

Frequently Asked Questions

What is the IUPAC name of N,N'-diamino-4-bromo-5-chloro-3-morpholin-4-yl-1-phenylindole-2-carboximidamide?
The IUPAC name of N,N'-diamino-4-bromo-5-chloro-3-morpholin-4-yl-1-phenylindole-2-carboximidamide (CID 155377292) is N,N'-diamino-4-bromo-5-chloro-3-morpholin-4-yl-1-phenylindole-2-carboximidamide.
What is the SMILES notation for N,N'-diamino-4-bromo-5-chloro-3-morpholin-4-yl-1-phenylindole-2-carboximidamide?
The canonical SMILES for N,N'-diamino-4-bromo-5-chloro-3-morpholin-4-yl-1-phenylindole-2-carboximidamide is N/N=C(\NN)c1c(N2CCOCC2)c2c(Br)c(Cl)ccc2n1-c1ccccc1.
What is the InChIKey of N,N'-diamino-4-bromo-5-chloro-3-morpholin-4-yl-1-phenylindole-2-carboximidamide?
The InChIKey is QUZZEXPJBAKUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrClN6O/c20-16-13(21)6-7-14-15(16)17(26-8-10-28-11-9-26)18(19(24-22)25-23)27(14)12-4-2-1-3-5-12/h1-7H,8-11,22-23H2,(H,24,25).
What are the key properties of N,N'-diamino-4-bromo-5-chloro-3-morpholin-4-yl-1-phenylindole-2-carboximidamide?
N,N'-diamino-4-bromo-5-chloro-3-morpholin-4-yl-1-phenylindole-2-carboximidamide has a molecular weight of 463.77 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diamino-4-bromo-5-chloro-3-morpholin-4-yl-1-phenylindole-2-carboximidamide is sourced from PubChem (CID 155377292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).