N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide

C14H19BrN2O — CID 115158559

IUPACN-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide
SMILESCN(CCc1ccc(Br)cc1)C(=O)CNC1CC1
InChIInChI=1S/C14H19BrN2O/c1-17(14(18)10-16-13-6-7-13)9-8-11-2-4-12(15)5-3-11/h2-5,13,16H,6-10H2,1H3
InChIKeyIDIQZVLJFWOKIH-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.20
Rot. Bonds6

About N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide

N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide (PubChem CID 115158559) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide
PubChem CID115158559
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide
SMILESCN(CCc1ccc(Br)cc1)C(=O)CNC1CC1
InChIInChI=1S/C14H19BrN2O/c1-17(14(18)10-16-13-6-7-13)9-8-11-2-4-12(15)5-3-11/h2-5,13,16H,6-10H2,1H3
InChIKeyIDIQZVLJFWOKIH-UHFFFAOYSA-N
XLogP2.20
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyclopropylamino)-N-methyl-N-(3-phenylpropyl)acetamide
CID 54924181
N-[2-(4-bromophenyl)ethyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 115158337
N-[2-(4-bromophenyl)ethyl]-2-(2-methoxyethylamino)-N-methylacetamide
CID 119771057
N-[(5-bromo-2-methylphenyl)methyl]-2-(cyclopropylamino)-N-methylacetamide
CID 115158503
N-[2-(4-bromophenyl)ethyl]-N-methyl-3-(methylamino)propanamide
CID 115153366
2-[2-[[2-(cyclopropylamino)acetyl]-methylamino]ethyl]benzoic acid
CID 104548350
4-[[[2-(cyclopropylamino)acetyl]-methylamino]methyl]benzamide
CID 54870661
ethyl 4-[[2-[methyl(2-pyridin-4-ylethyl)amino]-2-oxoethyl]amino]piperidine-1-carboxylate
CID 109001487
3-amino-N-[2-(4-bromophenyl)ethyl]-N,3-dimethylbutanamide
CID 115155083
3-[3-(4-bromophenyl)propanoyl-methylamino]propanoic acid
CID 99849607
4-[3-[2-(4-bromophenyl)ethyl-methylamino]-3-oxopropyl]benzoic acid
CID 119184024
7-amino-N-[2-(4-bromophenyl)ethyl]-N-methylheptanamide
CID 119771019

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide?
The IUPAC name of N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide (CID 115158559) is N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide.
What is the SMILES notation for N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide?
The canonical SMILES for N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide is CN(CCc1ccc(Br)cc1)C(=O)CNC1CC1.
What is the InChIKey of N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide?
The InChIKey is IDIQZVLJFWOKIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-17(14(18)10-16-13-6-7-13)9-8-11-2-4-12(15)5-3-11/h2-5,13,16H,6-10H2,1H3.
What are the key properties of N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide?
N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide has a molecular weight of 311.22 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromophenyl)ethyl]-2-(cyclopropylamino)-N-methylacetamide is sourced from PubChem (CID 115158559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).