N-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide

C12H15BrN2O — CID 83147329

IUPACN-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide
SMILESCC(C(=O)Nc1ccc(Br)c(N)c1)C1CC1
InChIInChI=1S/C12H15BrN2O/c1-7(8-2-3-8)12(16)15-9-4-5-10(13)11(14)6-9/h4-8H,2-3,14H2,1H3,(H,15,16)
InChIKeyMTYNIQLHUQNRHD-UHFFFAOYSA-N
MW283.17 g/mol
LogP3.02
Rot. Bonds3

About N-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide

N-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide (PubChem CID 83147329) has the molecular formula C12H15BrN2O and a molecular weight of 283.17 g/mol. Its IUPAC name is N-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide
PubChem CID83147329
Molecular FormulaC12H15BrN2O
Molecular Weight283.17 g/mol
Exact Mass282.04
IUPAC NameN-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide
SMILESCC(C(=O)Nc1ccc(Br)c(N)c1)C1CC1
InChIInChI=1S/C12H15BrN2O/c1-7(8-2-3-8)12(16)15-9-4-5-10(13)11(14)6-9/h4-8H,2-3,14H2,1H3,(H,15,16)
InChIKeyMTYNIQLHUQNRHD-UHFFFAOYSA-N
XLogP3.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.17
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromo-4-methylphenyl)-2-cyclopropylpropanamide
CID 79505881
2-cyclopropyl-N-(3-methyl-4-sulfamoylphenyl)propanamide
CID 83154940
2-cyclopropyl-N-(3,4-difluorophenyl)propanamide
CID 110428971
2-cyclopropyl-N-[4-(1-hydroxyethyl)phenyl]propanamide
CID 83148427
2-cyclopropyl-N-(3-iodophenyl)propanamide
CID 79507143
N-(3-amino-4-bromophenyl)cyclohexanecarboxamide
CID 79767895
2-cyclopropyl-N-(3-formylphenyl)propanamide
CID 106912491
N-(3-amino-4-pyridinyl)-2-cyclopropylpropanamide
CID 83147600
(2R)-N-(4-fluorophenyl)-2-(4-methylcyclohexyl)propanamide
CID 138502747
2-cyclopropyl-N-[4-(methylaminomethyl)phenyl]propanamide
CID 106909989
methyl 3-(2-cyclopropylpropanoylamino)benzoate
CID 79506267
2-cyclopropyl-N-(3,5-dichloro-4-hydroxyphenyl)propanamide
CID 83154434

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide?
The IUPAC name of N-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide (CID 83147329) is N-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide.
What is the SMILES notation for N-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide?
The canonical SMILES for N-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide is CC(C(=O)Nc1ccc(Br)c(N)c1)C1CC1.
What is the InChIKey of N-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide?
The InChIKey is MTYNIQLHUQNRHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN2O/c1-7(8-2-3-8)12(16)15-9-4-5-10(13)11(14)6-9/h4-8H,2-3,14H2,1H3,(H,15,16).
What are the key properties of N-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide?
N-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide has a molecular weight of 283.17 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-bromophenyl)-2-cyclopropylpropanamide is sourced from PubChem (CID 83147329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).