3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide

C13H14BrN3O — CID 82708527

IUPAC3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide
SMILESN#Cc1cc(Br)ccc1NC(=O)CC(N)C1CC1
InChIInChI=1S/C13H14BrN3O/c14-10-3-4-12(9(5-10)7-15)17-13(18)6-11(16)8-1-2-8/h3-5,8,11H,1-2,6,16H2,(H,17,18)
InChIKeyQJLGUULGHQDJEE-UHFFFAOYSA-N
MW308.18 g/mol
LogP2.39
Rot. Bonds4

About 3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide

3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide (PubChem CID 82708527) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide
PubChem CID82708527
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide
SMILESN#Cc1cc(Br)ccc1NC(=O)CC(N)C1CC1
InChIInChI=1S/C13H14BrN3O/c14-10-3-4-12(9(5-10)7-15)17-13(18)6-11(16)8-1-2-8/h3-5,8,11H,1-2,6,16H2,(H,17,18)
InChIKeyQJLGUULGHQDJEE-UHFFFAOYSA-N
XLogP2.39
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(5-bromo-2-iodophenyl)-3-cyclopropylpropanamide
CID 113411984
4-amino-N-(4-bromo-2-cyanophenyl)-3-methylbutanamide
CID 82708856
N-(4-bromo-2-cyanophenyl)-3,4,4-trimethylpentanamide
CID 82707700
N-(4-bromo-2-cyanophenyl)-3-(cyclopropylamino)propanamide
CID 82707532
N-(4-bromo-2-cyanophenyl)-3-(methylamino)propanamide
CID 82707862
(4-bromo-2-cyanophenyl)urea
CID 82708837
2-(1-aminocyclopentyl)-N-(4-bromo-2-cyanophenyl)acetamide
CID 82708203
3-amino-N-(2-cyano-3-methylphenyl)-3-cyclopropylpropanamide
CID 114003160
5-bromo-2-(2,2-dicyclopropylethylamino)benzonitrile
CID 114890736
ethyl N-(4-bromo-2-cyanophenyl)carbamate
CID 18367857
N-(4-bromo-2-cyanophenyl)-4-(methylamino)butanamide
CID 82707852
2-(4-bromo-2-cyanoanilino)-N-cyclopropylacetamide
CID 82707597

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide?
The IUPAC name of 3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide (CID 82708527) is 3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide?
The canonical SMILES for 3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide is N#Cc1cc(Br)ccc1NC(=O)CC(N)C1CC1.
What is the InChIKey of 3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide?
The InChIKey is QJLGUULGHQDJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c14-10-3-4-12(9(5-10)7-15)17-13(18)6-11(16)8-1-2-8/h3-5,8,11H,1-2,6,16H2,(H,17,18).
What are the key properties of 3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide?
3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide has a molecular weight of 308.18 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromo-2-cyanophenyl)-3-cyclopropylpropanamide is sourced from PubChem (CID 82708527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).