2-amino-4-bromo-5-[cyclopropyl(2-methoxyethyl)amino]benzamide

C13H18BrN3O2 — CID 114278288

IUPAC2-amino-4-bromo-5-[cyclopropyl(2-methoxyethyl)amino]benzamide
SMILESCOCCN(c1cc(C(N)=O)c(N)cc1Br)C1CC1
InChIInChI=1S/C13H18BrN3O2/c1-19-5-4-17(8-2-3-8)12-6-9(13(16)18)11(15)7-10(12)14/h6-8H,2-5,15H2,1H3,(H2,16,18)
InChIKeyBRYBOOQPEBVDHS-UHFFFAOYSA-N
MW328.21 g/mol
LogP1.75
Rot. Bonds6

About 2-amino-4-bromo-5-[cyclopropyl(2-methoxyethyl)amino]benzamide

2-amino-4-bromo-5-[cyclopropyl(2-methoxyethyl)amino]benzamide (PubChem CID 114278288) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is 2-amino-4-bromo-5-[cyclopropyl(2-methoxyethyl)amino]benzamide.

Molecular Properties

Compound Name2-amino-4-bromo-5-[cyclopropyl(2-methoxyethyl)amino]benzamide
PubChem CID114278288
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC Name2-amino-4-bromo-5-[cyclopropyl(2-methoxyethyl)amino]benzamide
SMILESCOCCN(c1cc(C(N)=O)c(N)cc1Br)C1CC1
InChIInChI=1S/C13H18BrN3O2/c1-19-5-4-17(8-2-3-8)12-6-9(13(16)18)11(15)7-10(12)14/h6-8H,2-5,15H2,1H3,(H2,16,18)
InChIKeyBRYBOOQPEBVDHS-UHFFFAOYSA-N
XLogP1.75
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]benzenecarbothioamide
CID 82804244
4-bromo-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 65343179
[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]methanol
CID 114062339
methyl 4-amino-3-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 82785230
1-[3-bromo-4-[cyclopropyl(2-methoxyethyl)amino]phenyl]ethanol
CID 62909901
2-amino-4-bromo-N-cyclopropyl-N-(2-methoxyethyl)benzamide
CID 79720140
ethyl 5-amino-2-[cyclopropyl(2-methoxyethyl)amino]benzoate
CID 61455680
2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 61453395
2-[cyclopropyl(2-methoxyethyl)amino]-5-fluorobenzenecarbothioamide
CID 63674892
2-amino-4-bromo-5-[methyl(2-methylsulfonylethyl)amino]benzamide
CID 114278338
4-chloro-2-N-cyclopropyl-2-N-(2-methoxyethyl)benzene-1,2-diamine
CID 115468738
2-bromo-6-[cyclopropyl(2-methoxyethyl)amino]-N'-hydroxybenzenecarboximidamide
CID 114883174

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-5-[cyclopropyl(2-methoxyethyl)amino]benzamide?
The IUPAC name of 2-amino-4-bromo-5-[cyclopropyl(2-methoxyethyl)amino]benzamide (CID 114278288) is 2-amino-4-bromo-5-[cyclopropyl(2-methoxyethyl)amino]benzamide.
What is the SMILES notation for 2-amino-4-bromo-5-[cyclopropyl(2-methoxyethyl)amino]benzamide?
The canonical SMILES for 2-amino-4-bromo-5-[cyclopropyl(2-methoxyethyl)amino]benzamide is COCCN(c1cc(C(N)=O)c(N)cc1Br)C1CC1.
What is the InChIKey of 2-amino-4-bromo-5-[cyclopropyl(2-methoxyethyl)amino]benzamide?
The InChIKey is BRYBOOQPEBVDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-19-5-4-17(8-2-3-8)12-6-9(13(16)18)11(15)7-10(12)14/h6-8H,2-5,15H2,1H3,(H2,16,18).
What are the key properties of 2-amino-4-bromo-5-[cyclopropyl(2-methoxyethyl)amino]benzamide?
2-amino-4-bromo-5-[cyclopropyl(2-methoxyethyl)amino]benzamide has a molecular weight of 328.21 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-5-[cyclopropyl(2-methoxyethyl)amino]benzamide is sourced from PubChem (CID 114278288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).