N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide

C11H14BrFN2O — CID 115157831

IUPACN-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide
SMILESCCNCC(=O)N(C)c1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFN2O/c1-3-14-7-11(16)15(2)10-6-8(12)4-5-9(10)13/h4-6,14H,3,7H2,1-2H3
InChIKeyPMQNGZKYFLMSTE-UHFFFAOYSA-N
MW289.15 g/mol
LogP2.16
Rot. Bonds4

About N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide

N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide (PubChem CID 115157831) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide.

Molecular Properties

Compound NameN-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide
PubChem CID115157831
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC NameN-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide
SMILESCCNCC(=O)N(C)c1cc(Br)ccc1F
InChIInChI=1S/C11H14BrFN2O/c1-3-14-7-11(16)15(2)10-6-8(12)4-5-9(10)13/h4-6,14H,3,7H2,1-2H3
InChIKeyPMQNGZKYFLMSTE-UHFFFAOYSA-N
XLogP2.16
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-bromo-2-fluorophenyl)-N-methylacetamide
CID 115191064
3-amino-N-(5-bromo-2-fluorophenyl)-N,3-dimethylbutanamide
CID 115154940
N-(5-bromo-2-fluorophenyl)-N-methyl-2-(methylaminomethyl)butanamide
CID 115188821
5-bromo-N-ethyl-2-fluoro-N-methylaniline
CID 115259359
N-(5-bromo-2-fluorophenyl)-N-methyl-1-(methylaminomethyl)cyclopropane-1-carboxamide
CID 115182970
4-(5-bromo-2-fluoro-N-methylanilino)-3-methyl-4-oxobutanoic acid
CID 115164539
N-(5-bromo-2-fluorophenyl)-2-(hydroxymethyl)-N,3-dimethylbutanamide
CID 115187249
N-(2,5-difluorophenyl)-N-methyl-3-oxobutanamide
CID 115176272
3-(5-bromo-2-fluorophenyl)-N-ethyl-2-methylprop-2-en-1-amine
CID 79341621
N-(2-chloro-4-methoxyphenyl)-2-(ethylamino)-N-methylacetamide
CID 115157803
2-(ethylamino)-N-methyl-N-pyridin-4-ylacetamide
CID 106935129
1-[(5-bromo-2-fluoro-N-methylanilino)methyl]cyclopropane-1-carboxylic acid
CID 115242863

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide?
The IUPAC name of N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide (CID 115157831) is N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide.
What is the SMILES notation for N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide?
The canonical SMILES for N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide is CCNCC(=O)N(C)c1cc(Br)ccc1F.
What is the InChIKey of N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide?
The InChIKey is PMQNGZKYFLMSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-3-14-7-11(16)15(2)10-6-8(12)4-5-9(10)13/h4-6,14H,3,7H2,1-2H3.
What are the key properties of N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide?
N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide has a molecular weight of 289.15 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-fluorophenyl)-2-(ethylamino)-N-methylacetamide is sourced from PubChem (CID 115157831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).