N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide

C13H16BrNO — CID 79505881

IUPACN-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide
SMILESCc1ccc(NC(=O)C(C)C2CC2)cc1Br
InChIInChI=1S/C13H16BrNO/c1-8-3-6-11(7-12(8)14)15-13(16)9(2)10-4-5-10/h3,6-7,9-10H,4-5H2,1-2H3,(H,15,16)
InChIKeyHZDUYQWTQGOCTC-UHFFFAOYSA-N
MW282.18 g/mol
LogP3.74
Rot. Bonds3

About N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide

N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide (PubChem CID 79505881) has the molecular formula C13H16BrNO and a molecular weight of 282.18 g/mol. Its IUPAC name is N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide
PubChem CID79505881
Molecular FormulaC13H16BrNO
Molecular Weight282.18 g/mol
Exact Mass281.04
IUPAC NameN-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide
SMILESCc1ccc(NC(=O)C(C)C2CC2)cc1Br
InChIInChI=1S/C13H16BrNO/c1-8-3-6-11(7-12(8)14)15-13(16)9(2)10-4-5-10/h3,6-7,9-10H,4-5H2,1-2H3,(H,15,16)
InChIKeyHZDUYQWTQGOCTC-UHFFFAOYSA-N
XLogP3.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.18
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide
CID 83147329
2-cyclopropyl-N-(3-methyl-4-sulfamoylphenyl)propanamide
CID 83154940
N-(3-bromo-4-methylphenyl)-2-sulfanylpropanamide
CID 83768513
2-amino-N-(3-bromo-4-methylphenyl)propanamide
CID 63334898
2-cyclopropyl-N-(3,4-difluorophenyl)propanamide
CID 110428971
2-methyl-5-[2-(oxan-4-yl)propanoylamino]benzoic acid
CID 120688109
3-bromo-N-(3-bromo-4-methylphenyl)-4-methylbenzamide
CID 81471558
2-cyclopropyl-N-[4-(1-hydroxyethyl)phenyl]propanamide
CID 83148427
2-cyclopropyl-N-(3-iodophenyl)propanamide
CID 79507143
4-amino-N-(3-bromo-4-methylphenyl)cyclohexane-1-carboxamide
CID 55201939
2-cyclopropyl-N-(3-formylphenyl)propanamide
CID 106912491
N-(3-bromo-4-methylphenyl)-2-(N'-hydroxycarbamimidoyl)-3-methylbutanamide
CID 77011754

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide?
The IUPAC name of N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide (CID 79505881) is N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide.
What is the SMILES notation for N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide?
The canonical SMILES for N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide is Cc1ccc(NC(=O)C(C)C2CC2)cc1Br.
What is the InChIKey of N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide?
The InChIKey is HZDUYQWTQGOCTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrNO/c1-8-3-6-11(7-12(8)14)15-13(16)9(2)10-4-5-10/h3,6-7,9-10H,4-5H2,1-2H3,(H,15,16).
What are the key properties of N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide?
N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide has a molecular weight of 282.18 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide is sourced from PubChem (CID 79505881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).