2-amino-4-bromo-5-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide

C14H20BrN3O — CID 114278337

IUPAC2-amino-4-bromo-5-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide
SMILESCC1(C)C(Nc2cc(C(N)=O)c(N)cc2Br)C1(C)C
InChIInChI=1S/C14H20BrN3O/c1-13(2)12(14(13,3)4)18-10-5-7(11(17)19)9(16)6-8(10)15/h5-6,12,18H,16H2,1-4H3,(H2,17,19)
InChIKeyIHCLPLHQZPZNMG-UHFFFAOYSA-N
MW326.24 g/mol
LogP2.98
Rot. Bonds3

About 2-amino-4-bromo-5-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide

2-amino-4-bromo-5-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide (PubChem CID 114278337) has the molecular formula C14H20BrN3O and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-amino-4-bromo-5-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-5-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide
PubChem CID114278337
Molecular FormulaC14H20BrN3O
Molecular Weight326.24 g/mol
Exact Mass325.08
IUPAC Name2-amino-4-bromo-5-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide
SMILESCC1(C)C(Nc2cc(C(N)=O)c(N)cc2Br)C1(C)C
InChIInChI=1S/C14H20BrN3O/c1-13(2)12(14(13,3)4)18-10-5-7(11(17)19)9(16)6-8(10)15/h5-6,12,18H,16H2,1-4H3,(H2,17,19)
InChIKeyIHCLPLHQZPZNMG-UHFFFAOYSA-N
XLogP2.98
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-5-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide?
The IUPAC name of 2-amino-4-bromo-5-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide (CID 114278337) is 2-amino-4-bromo-5-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide.
What is the SMILES notation for 2-amino-4-bromo-5-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide?
The canonical SMILES for 2-amino-4-bromo-5-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide is CC1(C)C(Nc2cc(C(N)=O)c(N)cc2Br)C1(C)C.
What is the InChIKey of 2-amino-4-bromo-5-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide?
The InChIKey is IHCLPLHQZPZNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O/c1-13(2)12(14(13,3)4)18-10-5-7(11(17)19)9(16)6-8(10)15/h5-6,12,18H,16H2,1-4H3,(H2,17,19).
What are the key properties of 2-amino-4-bromo-5-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide?
2-amino-4-bromo-5-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide has a molecular weight of 326.24 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-5-[(2,2,3,3-tetramethylcyclopropyl)amino]benzamide is sourced from PubChem (CID 114278337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).