(Z)-2-(N-amino-2-bromo-4-chloroanilino)-1-cyclopropylethenamine

C11H13BrClN3 — CID 129101441

IUPAC(Z)-2-(N-amino-2-bromo-4-chloroanilino)-1-cyclopropylethenamine
SMILESN/C(=C\N(N)c1ccc(Cl)cc1Br)C1CC1
InChIInChI=1S/C11H13BrClN3/c12-9-5-8(13)3-4-11(9)16(15)6-10(14)7-1-2-7/h3-7H,1-2,14-15H2/b10-6-
InChIKeySUVAWEHBQXNAPA-POHAHGRESA-N
MW302.60 g/mol
LogP2.99
Rot. Bonds3

About (Z)-2-(N-amino-2-bromo-4-chloroanilino)-1-cyclopropylethenamine

(Z)-2-(N-amino-2-bromo-4-chloroanilino)-1-cyclopropylethenamine (PubChem CID 129101441) has the molecular formula C11H13BrClN3 and a molecular weight of 302.60 g/mol. Its IUPAC name is (Z)-2-(N-amino-2-bromo-4-chloroanilino)-1-cyclopropylethenamine.

Molecular Properties

Compound Name(Z)-2-(N-amino-2-bromo-4-chloroanilino)-1-cyclopropylethenamine
PubChem CID129101441
Molecular FormulaC11H13BrClN3
Molecular Weight302.60 g/mol
Exact Mass301.00
IUPAC Name(Z)-2-(N-amino-2-bromo-4-chloroanilino)-1-cyclopropylethenamine
SMILESN/C(=C\N(N)c1ccc(Cl)cc1Br)C1CC1
InChIInChI=1S/C11H13BrClN3/c12-9-5-8(13)3-4-11(9)16(15)6-10(14)7-1-2-7/h3-7H,1-2,14-15H2/b10-6-
InChIKeySUVAWEHBQXNAPA-POHAHGRESA-N
XLogP2.99
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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 (Z)-2-(N-amino-2-bromo-4-chloroanilino)-1-cyclopropylethenamine?
The IUPAC name of (Z)-2-(N-amino-2-bromo-4-chloroanilino)-1-cyclopropylethenamine (CID 129101441) is (Z)-2-(N-amino-2-bromo-4-chloroanilino)-1-cyclopropylethenamine.
What is the SMILES notation for (Z)-2-(N-amino-2-bromo-4-chloroanilino)-1-cyclopropylethenamine?
The canonical SMILES for (Z)-2-(N-amino-2-bromo-4-chloroanilino)-1-cyclopropylethenamine is N/C(=C\N(N)c1ccc(Cl)cc1Br)C1CC1.
What is the InChIKey of (Z)-2-(N-amino-2-bromo-4-chloroanilino)-1-cyclopropylethenamine?
The InChIKey is SUVAWEHBQXNAPA-POHAHGRESA-N. The full InChI is InChI=1S/C11H13BrClN3/c12-9-5-8(13)3-4-11(9)16(15)6-10(14)7-1-2-7/h3-7H,1-2,14-15H2/b10-6-.
What are the key properties of (Z)-2-(N-amino-2-bromo-4-chloroanilino)-1-cyclopropylethenamine?
(Z)-2-(N-amino-2-bromo-4-chloroanilino)-1-cyclopropylethenamine has a molecular weight of 302.60 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(N-amino-2-bromo-4-chloroanilino)-1-cyclopropylethenamine is sourced from PubChem (CID 129101441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).