2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide

C13H19BrN2O — CID 60673174

IUPAC2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide
SMILESCCC(NC(C)C(=O)NC)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-4-12(16-9(2)13(17)15-3)10-5-7-11(14)8-6-10/h5-9,12,16H,4H2,1-3H3,(H,15,17)
InChIKeyGWCQFPQYHHKRPY-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.62
Rot. Bonds5

About 2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide

2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide (PubChem CID 60673174) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide
PubChem CID60673174
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide
SMILESCCC(NC(C)C(=O)NC)c1ccc(Br)cc1
InChIInChI=1S/C13H19BrN2O/c1-4-12(16-9(2)13(17)15-3)10-5-7-11(14)8-6-10/h5-9,12,16H,4H2,1-3H3,(H,15,17)
InChIKeyGWCQFPQYHHKRPY-UHFFFAOYSA-N
XLogP2.62
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]-N-methylpropanamide
CID 8643427
(2S)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanamide
CID 8643345
(2R)-2-[1-(4-bromophenyl)ethylamino]-N-methylpropanamide
CID 103740453
2-[1-(4-bromophenyl)propylamino]-N,N-diethylpropanamide
CID 43425684
N-(methylcarbamoyl)-2-(1-phenylpropylamino)propanamide
CID 62050254
methyl 2-[1-(4-bromophenyl)propylamino]butanoate
CID 115352622
2-[[(1S)-1-(4-bromophenyl)ethyl]amino]-N-ethylpropanamide
CID 81360050
3-[1-(4-bromophenyl)propylamino]-N,2,2-trimethylpropanamide
CID 103822837
N-[1-(4-bromophenyl)propyl]-3-methylpentan-2-amine
CID 43692297
N-[1-(4-bromophenyl)propyl]formamide
CID 64990442
1-(4-bromophenyl)-N-(1-ethylsulfonylpropan-2-yl)propan-1-amine
CID 115889897
1-[(2R)-2-[[(1R)-1-(4-bromophenyl)propyl]amino]propanoyl]imidazolidin-2-one
CID 8643765

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide?
The IUPAC name of 2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide (CID 60673174) is 2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide.
What is the SMILES notation for 2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide?
The canonical SMILES for 2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide is CCC(NC(C)C(=O)NC)c1ccc(Br)cc1.
What is the InChIKey of 2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide?
The InChIKey is GWCQFPQYHHKRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-4-12(16-9(2)13(17)15-3)10-5-7-11(14)8-6-10/h5-9,12,16H,4H2,1-3H3,(H,15,17).
What are the key properties of 2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide?
2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide has a molecular weight of 299.21 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenyl)propylamino]-N-methylpropanamide is sourced from PubChem (CID 60673174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).