N-[1-(2-bromophenyl)ethyl]-N-propylacetamide

C13H18BrNO — CID 60778873

IUPACN-[1-(2-bromophenyl)ethyl]-N-propylacetamide
SMILESCCCN(C(C)=O)C(C)c1ccccc1Br
InChIInChI=1S/C13H18BrNO/c1-4-9-15(11(3)16)10(2)12-7-5-6-8-13(12)14/h5-8,10H,4,9H2,1-3H3
InChIKeyRMULAKDONLIWEQ-UHFFFAOYSA-N
MW284.20 g/mol
LogP3.77
Rot. Bonds4

About N-[1-(2-bromophenyl)ethyl]-N-propylacetamide

N-[1-(2-bromophenyl)ethyl]-N-propylacetamide (PubChem CID 60778873) has the molecular formula C13H18BrNO and a molecular weight of 284.20 g/mol. Its IUPAC name is N-[1-(2-bromophenyl)ethyl]-N-propylacetamide.

Molecular Properties

Compound NameN-[1-(2-bromophenyl)ethyl]-N-propylacetamide
PubChem CID60778873
Molecular FormulaC13H18BrNO
Molecular Weight284.20 g/mol
Exact Mass283.06
IUPAC NameN-[1-(2-bromophenyl)ethyl]-N-propylacetamide
SMILESCCCN(C(C)=O)C(C)c1ccccc1Br
InChIInChI=1S/C13H18BrNO/c1-4-9-15(11(3)16)10(2)12-7-5-6-8-13(12)14/h5-8,10H,4,9H2,1-3H3
InChIKeyRMULAKDONLIWEQ-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-N-[1-(2-bromophenyl)ethyl]-2-methyl-N-propylpropanamide
CID 114328209
N-[1-(2-bromophenyl)ethyl]-2-methyl-2-(methylamino)-N-propylpropanamide
CID 62845983
2-amino-N-[1-(2-bromophenyl)ethyl]-N-propylcyclopropane-1-carboxamide
CID 55035536
2-(azetidin-3-ylidene)-N-[1-(2-bromophenyl)ethyl]-N-propylpropanamide
CID 116676511
N-[1-(2-bromophenyl)ethyl]-3-methylsulfonyl-N-propylpropanamide
CID 87025496
4-(acetamidomethyl)-N-[1-(2-bromophenyl)ethyl]-N-propylbenzamide
CID 55750869
N-[(1R)-1-(2-bromophenyl)ethyl]-6-methyl-N-propylpyridine-3-carboxamide
CID 52633198
N-[1-(2-bromophenyl)ethyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 60958671
N-[1-(2-bromophenyl)ethyl]-2-(cyclopropylmethylamino)-N-propylacetamide
CID 60946925
N-[1-(2-bromophenyl)ethyl]-4-methyl-N-propylpyrrolidine-3-carboxamide
CID 63716493
1-[(1R)-1-(2-bromophenyl)ethyl]-3-(2-methoxyphenyl)-1-propylurea
CID 51954766
N-[(1S)-1-(2-bromophenyl)ethyl]-2-chloro-N-propyl-1,3-thiazole-4-carboxamide
CID 124735535

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bromophenyl)ethyl]-N-propylacetamide?
The IUPAC name of N-[1-(2-bromophenyl)ethyl]-N-propylacetamide (CID 60778873) is N-[1-(2-bromophenyl)ethyl]-N-propylacetamide.
What is the SMILES notation for N-[1-(2-bromophenyl)ethyl]-N-propylacetamide?
The canonical SMILES for N-[1-(2-bromophenyl)ethyl]-N-propylacetamide is CCCN(C(C)=O)C(C)c1ccccc1Br.
What is the InChIKey of N-[1-(2-bromophenyl)ethyl]-N-propylacetamide?
The InChIKey is RMULAKDONLIWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO/c1-4-9-15(11(3)16)10(2)12-7-5-6-8-13(12)14/h5-8,10H,4,9H2,1-3H3.
What are the key properties of N-[1-(2-bromophenyl)ethyl]-N-propylacetamide?
N-[1-(2-bromophenyl)ethyl]-N-propylacetamide has a molecular weight of 284.20 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bromophenyl)ethyl]-N-propylacetamide is sourced from PubChem (CID 60778873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).