4-bromo-2-(propan-2-ylamino)benzenecarboximidoyl iodide

C10H12BrIN2 — CID 167273660

IUPAC4-bromo-2-(propan-2-ylamino)benzenecarboximidoyl iodide
SMILES[H]/N=C(\I)c1ccc(Br)cc1NC(C)C
InChIInChI=1S/C10H12BrIN2/c1-6(2)14-9-5-7(11)3-4-8(9)10(12)13/h3-6,13-14H,1-2H3/b13-10-
InChIKeyGJJAUZOJZKLDNX-RAXLEYEMSA-N
MW367.03 g/mol
LogP4.03
Rot. Bonds3

About 4-bromo-2-(propan-2-ylamino)benzenecarboximidoyl iodide

4-bromo-2-(propan-2-ylamino)benzenecarboximidoyl iodide (PubChem CID 167273660) has the molecular formula C10H12BrIN2 and a molecular weight of 367.03 g/mol. Its IUPAC name is 4-bromo-2-(propan-2-ylamino)benzenecarboximidoyl iodide.

Molecular Properties

Compound Name4-bromo-2-(propan-2-ylamino)benzenecarboximidoyl iodide
PubChem CID167273660
Molecular FormulaC10H12BrIN2
Molecular Weight367.03 g/mol
Exact Mass365.92
IUPAC Name4-bromo-2-(propan-2-ylamino)benzenecarboximidoyl iodide
SMILES[H]/N=C(\I)c1ccc(Br)cc1NC(C)C
InChIInChI=1S/C10H12BrIN2/c1-6(2)14-9-5-7(11)3-4-8(9)10(12)13/h3-6,13-14H,1-2H3/b13-10-
InChIKeyGJJAUZOJZKLDNX-RAXLEYEMSA-N
XLogP4.03
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.03
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-ethanimidoyl-N-methylaniline
CID 145062110
4-bromo-2-(methylamino)benzenecarboximidoyl fluoride
CID 145094809
2-bromo-5-ethanimidoyl-N-propan-2-ylpyridin-4-amine
CID 144767861
4-bromo-2-chloro-N-propan-2-ylaniline
CID 43236856
4-bromo-2-(3-methylpentan-2-ylamino)benzoic acid
CID 114907304
3-bromo-N-propan-2-ylaniline
CID 23291934
4-bromo-2-(tert-butylamino)benzenecarboximidamide
CID 114904558
5-bromo-2-(2-methylpropanimidoyl)aniline
CID 123200505
4-bromo-2-(but-3-en-2-ylamino)benzoic acid
CID 114907517
4-bromo-2-[[(1R)-1-phenylethyl]amino]benzamide
CID 125464660
4-bromo-2-[methyl(propan-2-yl)amino]benzenecarboximidamide
CID 114904389
4-bromo-2-(1-cyclopropylpropan-2-ylamino)benzoic acid
CID 114907394

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(propan-2-ylamino)benzenecarboximidoyl iodide?
The IUPAC name of 4-bromo-2-(propan-2-ylamino)benzenecarboximidoyl iodide (CID 167273660) is 4-bromo-2-(propan-2-ylamino)benzenecarboximidoyl iodide.
What is the SMILES notation for 4-bromo-2-(propan-2-ylamino)benzenecarboximidoyl iodide?
The canonical SMILES for 4-bromo-2-(propan-2-ylamino)benzenecarboximidoyl iodide is [H]/N=C(\I)c1ccc(Br)cc1NC(C)C.
What is the InChIKey of 4-bromo-2-(propan-2-ylamino)benzenecarboximidoyl iodide?
The InChIKey is GJJAUZOJZKLDNX-RAXLEYEMSA-N. The full InChI is InChI=1S/C10H12BrIN2/c1-6(2)14-9-5-7(11)3-4-8(9)10(12)13/h3-6,13-14H,1-2H3/b13-10-.
What are the key properties of 4-bromo-2-(propan-2-ylamino)benzenecarboximidoyl iodide?
4-bromo-2-(propan-2-ylamino)benzenecarboximidoyl iodide has a molecular weight of 367.03 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(propan-2-ylamino)benzenecarboximidoyl iodide is sourced from PubChem (CID 167273660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).