3-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide

C13H16BrClN2O — CID 103792790

IUPAC3-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide
SMILESO=C(CCNCc1cc(Br)ccc1Cl)NC1CC1
InChIInChI=1S/C13H16BrClN2O/c14-10-1-4-12(15)9(7-10)8-16-6-5-13(18)17-11-2-3-11/h1,4,7,11,16H,2-3,5-6,8H2,(H,17,18)
InChIKeyAOIGKPCHMXKRNU-UHFFFAOYSA-N
MW331.64 g/mol
LogP2.86
Rot. Bonds6

About 3-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide

3-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide (PubChem CID 103792790) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is 3-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name3-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide
PubChem CID103792790
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC Name3-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide
SMILESO=C(CCNCc1cc(Br)ccc1Cl)NC1CC1
InChIInChI=1S/C13H16BrClN2O/c14-10-1-4-12(15)9(7-10)8-16-6-5-13(18)17-11-2-3-11/h1,4,7,11,16H,2-3,5-6,8H2,(H,17,18)
InChIKeyAOIGKPCHMXKRNU-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide
CID 78978000
3-(4-bromo-2-chloroanilino)-N-cyclopropylpropanamide
CID 62627923
3-[(5-bromo-2-chlorophenyl)methylamino]-N-butan-2-ylpropanamide
CID 103792629
N-cyclopropyl-3-[(3,5-dibromo-2-methoxyphenyl)methylamino]propanamide
CID 78977647
3-[1-(4-bromo-2-chlorophenyl)ethylamino]-N-cyclopropylpropanamide
CID 82773843
4-[(5-bromo-2-prop-2-ynoxyphenyl)methylamino]-N-cyclopropylbutanamide
CID 119111453
1-[4-[(5-bromo-2-chlorophenyl)methylamino]piperidin-1-yl]ethanone
CID 103792409
2-(4-bromo-2-methylphenyl)-N-cyclopropylacetamide
CID 166638837
N-[(5-bromo-2-chlorophenyl)methyl]cyclobutanamine
CID 103793012
2-[[[3-(cyclopropylamino)-3-oxopropyl]amino]methyl]benzamide
CID 79395029
2-[(2-chloro-4-methylphenyl)methylamino]-N-cyclopropylacetamide
CID 106862345
N-cyclopropyl-3-[[3-(cyclopropylamino)-3-oxopropyl]amino]propanamide
CID 79394765

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide?
The IUPAC name of 3-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide (CID 103792790) is 3-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide.
What is the SMILES notation for 3-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide?
The canonical SMILES for 3-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide is O=C(CCNCc1cc(Br)ccc1Cl)NC1CC1.
What is the InChIKey of 3-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide?
The InChIKey is AOIGKPCHMXKRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c14-10-1-4-12(15)9(7-10)8-16-6-5-13(18)17-11-2-3-11/h1,4,7,11,16H,2-3,5-6,8H2,(H,17,18).
What are the key properties of 3-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide?
3-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide has a molecular weight of 331.64 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-2-chlorophenyl)methylamino]-N-cyclopropylpropanamide is sourced from PubChem (CID 103792790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).