2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide

C16H23BrN2O — CID 61401079

IUPAC2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide
SMILESCC(NCc1cccc(Br)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H23BrN2O/c1-12(16(20)19-15-8-3-2-4-9-15)18-11-13-6-5-7-14(17)10-13/h5-7,10,12,15,18H,2-4,8-9,11H2,1H3,(H,19,20)
InChIKeyCPCRZEMGMRIFIT-UHFFFAOYSA-N
MW339.28 g/mol
LogP3.38
Rot. Bonds5

About 2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide

2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide (PubChem CID 61401079) has the molecular formula C16H23BrN2O and a molecular weight of 339.28 g/mol. Its IUPAC name is 2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide.

Molecular Properties

Compound Name2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide
PubChem CID61401079
Molecular FormulaC16H23BrN2O
Molecular Weight339.28 g/mol
Exact Mass338.10
IUPAC Name2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide
SMILESCC(NCc1cccc(Br)c1)C(=O)NC1CCCCC1
InChIInChI=1S/C16H23BrN2O/c1-12(16(20)19-15-8-3-2-4-9-15)18-11-13-6-5-7-14(17)10-13/h5-7,10,12,15,18H,2-4,8-9,11H2,1H3,(H,19,20)
InChIKeyCPCRZEMGMRIFIT-UHFFFAOYSA-N
XLogP3.38
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.28
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-[(3-bromophenyl)methyl]-1-cycloheptylethanamine
CID 81388696
(1S)-N-[(3-bromophenyl)methyl]-1-cyclohexylethanamine
CID 81387900
(2R)-2-[(3-bromophenyl)methylamino]-N-methylpropanamide
CID 103735692
N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine
CID 115714631
2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138
N-cyclopentyl-2-[(4-methylphenyl)methylamino]propanamide
CID 43083735
N-cyclopropyl-2-[[3-(methoxymethyl)phenyl]methylamino]propanamide
CID 54896696
2-[(3-bromophenyl)methylamino]-1-piperidin-1-ylpropan-1-one
CID 60931628
N-cyclohexyl-2-[(2-methoxy-4-pyridinyl)methylamino]propanamide
CID 62990615
2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide
CID 104797136
N-cyclohexyl-2-[2-(3-methylphenyl)ethylamino]propanamide
CID 62313383
2-[[(1R)-1-(3-bromophenyl)ethyl]amino]-N-cyclohexylacetamide
CID 81382580

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide?
The IUPAC name of 2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide (CID 61401079) is 2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide.
What is the SMILES notation for 2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide?
The canonical SMILES for 2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide is CC(NCc1cccc(Br)c1)C(=O)NC1CCCCC1.
What is the InChIKey of 2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide?
The InChIKey is CPCRZEMGMRIFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O/c1-12(16(20)19-15-8-3-2-4-9-15)18-11-13-6-5-7-14(17)10-13/h5-7,10,12,15,18H,2-4,8-9,11H2,1H3,(H,19,20).
What are the key properties of 2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide?
2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide has a molecular weight of 339.28 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)methylamino]-N-cyclohexylpropanamide is sourced from PubChem (CID 61401079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).