3-amino-N-(4-bromophenyl)-N-ethylpropanamide

C11H15BrN2O — CID 28795394

IUPAC3-amino-N-(4-bromophenyl)-N-ethylpropanamide
SMILESCCN(C(=O)CCN)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c1-2-14(11(15)7-8-13)10-5-3-9(12)4-6-10/h3-6H,2,7-8,13H2,1H3
InChIKeyNHTRVSJIXKPHRO-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.15
Rot. Bonds4

About 3-amino-N-(4-bromophenyl)-N-ethylpropanamide

3-amino-N-(4-bromophenyl)-N-ethylpropanamide (PubChem CID 28795394) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 3-amino-N-(4-bromophenyl)-N-ethylpropanamide.

Molecular Properties

Compound Name3-amino-N-(4-bromophenyl)-N-ethylpropanamide
PubChem CID28795394
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name3-amino-N-(4-bromophenyl)-N-ethylpropanamide
SMILESCCN(C(=O)CCN)c1ccc(Br)cc1
InChIInChI=1S/C11H15BrN2O/c1-2-14(11(15)7-8-13)10-5-3-9(12)4-6-10/h3-6H,2,7-8,13H2,1H3
InChIKeyNHTRVSJIXKPHRO-UHFFFAOYSA-N
XLogP2.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[5-(4-bromo-N-ethylanilino)-2-methyl-5-oxopentan-2-yl] carbamate
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2-(N-acetyl-4-bromoanilino)-N-ethyl-N-phenylacetamide
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3-(4-bromoanilino)-N-ethyl-N-phenylpropanamide
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3-amino-N-ethyl-N-(3-methylphenyl)propanamide
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3-amino-N-(2,6-diethylphenyl)-N-ethylpropanamide
CID 28795326
4-amino-N-(4-bromophenyl)-N-(2-butoxyethyl)butanamide
CID 119329113
3-amino-N-(2,6-dichlorophenyl)-N-ethylpropanamide
CID 28795530
N-[4-(aminomethyl)phenyl]-N-ethylhexanamide
CID 43275627
3-amino-N-[2-(4-bromophenoxy)ethyl]-N-ethylpropanamide
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CID 81312467

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromophenyl)-N-ethylpropanamide?
The IUPAC name of 3-amino-N-(4-bromophenyl)-N-ethylpropanamide (CID 28795394) is 3-amino-N-(4-bromophenyl)-N-ethylpropanamide.
What is the SMILES notation for 3-amino-N-(4-bromophenyl)-N-ethylpropanamide?
The canonical SMILES for 3-amino-N-(4-bromophenyl)-N-ethylpropanamide is CCN(C(=O)CCN)c1ccc(Br)cc1.
What is the InChIKey of 3-amino-N-(4-bromophenyl)-N-ethylpropanamide?
The InChIKey is NHTRVSJIXKPHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c1-2-14(11(15)7-8-13)10-5-3-9(12)4-6-10/h3-6H,2,7-8,13H2,1H3.
What are the key properties of 3-amino-N-(4-bromophenyl)-N-ethylpropanamide?
3-amino-N-(4-bromophenyl)-N-ethylpropanamide has a molecular weight of 271.16 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4-bromophenyl)-N-ethylpropanamide is sourced from PubChem (CID 28795394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).