3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide

C12H14Br2N2O — CID 107599767

IUPAC3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide
SMILESNC(CC(=O)Nc1c(Br)cccc1Br)C1CC1
InChIInChI=1S/C12H14Br2N2O/c13-8-2-1-3-9(14)12(8)16-11(17)6-10(15)7-4-5-7/h1-3,7,10H,4-6,15H2,(H,16,17)
InChIKeyQHZFYXBWKCSQTH-UHFFFAOYSA-N
MW362.07 g/mol
LogP3.28
Rot. Bonds4

About 3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide

3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide (PubChem CID 107599767) has the molecular formula C12H14Br2N2O and a molecular weight of 362.07 g/mol. Its IUPAC name is 3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide.

Molecular Properties

Compound Name3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide
PubChem CID107599767
Molecular FormulaC12H14Br2N2O
Molecular Weight362.07 g/mol
Exact Mass359.95
IUPAC Name3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide
SMILESNC(CC(=O)Nc1c(Br)cccc1Br)C1CC1
InChIInChI=1S/C12H14Br2N2O/c13-8-2-1-3-9(14)12(8)16-11(17)6-10(15)7-4-5-7/h1-3,7,10H,4-6,15H2,(H,16,17)
InChIKeyQHZFYXBWKCSQTH-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.07
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 113411984
3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide
CID 82708527
3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide
CID 114003160
3-amino-3-cyclopropyl-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911980
N-(2,6-dibromophenyl)propanamide
CID 103863189
2-cyclopropyl-2-(2,6-dibromoanilino)acetic acid
CID 107601020
3-amino-3-cyclopropyl-N-[4-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911810
2-amino-N-(2,6-dibromophenyl)propanamide
CID 12546848
N-(2,6-dibromophenyl)-3-sulfanylpropanamide
CID 107604205
(3E)-3-amino-N-(2,6-dibromophenyl)-3-hydroxyiminopropanamide
CID 107602387
N-(2,6-dibromophenyl)-2-piperidin-4-yloxyacetamide
CID 107599717
2-[2-(aminomethyl)phenyl]-N-(2,6-dibromophenyl)acetamide
CID 107599693

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide?
The IUPAC name of 3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide (CID 107599767) is 3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide.
What is the SMILES notation for 3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide?
The canonical SMILES for 3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide is NC(CC(=O)Nc1c(Br)cccc1Br)C1CC1.
What is the InChIKey of 3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide?
The InChIKey is QHZFYXBWKCSQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Br2N2O/c13-8-2-1-3-9(14)12(8)16-11(17)6-10(15)7-4-5-7/h1-3,7,10H,4-6,15H2,(H,16,17).
What are the key properties of 3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide?
3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide has a molecular weight of 362.07 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-cyclopropyl-N-(2,6-dibromophenyl)propanamide is sourced from PubChem (CID 107599767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).