N-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide

C16H24BrFN2O2 — CID 119659098

IUPACN-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C16H24BrFN2O2/c1-10(2)14(19)7-8-20(4)16(21)11(3)22-15-6-5-12(18)9-13(15)17/h5-6,9-11,14H,7-8,19H2,1-4H3
InChIKeyYUCXEOHVYIYQPD-UHFFFAOYSA-N
MW375.28 g/mol
LogP3.19
Rot. Bonds7

About N-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide

N-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide (PubChem CID 119659098) has the molecular formula C16H24BrFN2O2 and a molecular weight of 375.28 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide
PubChem CID119659098
Molecular FormulaC16H24BrFN2O2
Molecular Weight375.28 g/mol
Exact Mass374.10
IUPAC NameN-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide
SMILESCC(Oc1ccc(F)cc1Br)C(=O)N(C)CCC(N)C(C)C
InChIInChI=1S/C16H24BrFN2O2/c1-10(2)14(19)7-8-20(4)16(21)11(3)22-15-6-5-12(18)9-13(15)17/h5-6,9-11,14H,7-8,19H2,1-4H3
InChIKeyYUCXEOHVYIYQPD-UHFFFAOYSA-N
XLogP3.19
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-bromo-4-fluorophenoxy)-N-(2-hydroxy-2-methylpropyl)-N-methylpropanamide
CID 111663126
N-(3-aminobutyl)-2-(2-bromo-4-fluorophenoxy)propanamide
CID 119496943
2-(2-bromo-4-fluorophenoxy)-N-methyl-N-phenylpropanamide
CID 112786458
2-(2-bromophenoxy)-N-(3-hydroxybutyl)-N-methylpropanamide
CID 111695569
N-(3-amino-4-methylpentyl)-2,5-difluoro-N-methylbenzamide;hydrochloride
CID 119658393
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690
N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide
CID 119659701
N-(3-amino-4-methylpentyl)-3-(3-fluorophenyl)-N,2-dimethylpropanamide;hydrochloride
CID 119659700
N-(3-amino-4-methylpentyl)-2-(2-fluorophenoxy)-N-methylbutanamide
CID 119661444
(2S)-2-(2-bromo-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 124571160
N-(3-amino-4-methylpentyl)-2-methoxy-N-methylpropanamide
CID 115737860
2-(2-bromo-4-fluorophenoxy)-N-[2-(diethylamino)propyl]propanamide
CID 47040437

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide (CID 119659098) is N-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide is CC(Oc1ccc(F)cc1Br)C(=O)N(C)CCC(N)C(C)C.
What is the InChIKey of N-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide?
The InChIKey is YUCXEOHVYIYQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrFN2O2/c1-10(2)14(19)7-8-20(4)16(21)11(3)22-15-6-5-12(18)9-13(15)17/h5-6,9-11,14H,7-8,19H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide?
N-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide has a molecular weight of 375.28 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-2-(2-bromo-4-fluorophenoxy)-N-methylpropanamide is sourced from PubChem (CID 119659098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).