3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide

C12H17BrN2O — CID 119502303

IUPAC3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-14-7-8-15-12(16)6-5-10-3-2-4-11(13)9-10/h2-4,9,14H,5-8H2,1H3,(H,15,16)
InChIKeyJLWNIEMSFRBIJT-UHFFFAOYSA-N
MW285.18 g/mol
LogP1.72
Rot. Bonds6

About 3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide

3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide (PubChem CID 119502303) has the molecular formula C12H17BrN2O and a molecular weight of 285.18 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide
PubChem CID119502303
Molecular FormulaC12H17BrN2O
Molecular Weight285.18 g/mol
Exact Mass284.05
IUPAC Name3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)CCc1cccc(Br)c1
InChIInChI=1S/C12H17BrN2O/c1-14-7-8-15-12(16)6-5-10-3-2-4-11(13)9-10/h2-4,9,14H,5-8H2,1H3,(H,15,16)
InChIKeyJLWNIEMSFRBIJT-UHFFFAOYSA-N
XLogP1.72
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.18
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[3-(3-bromophenyl)propanoylamino]propanoic acid
CID 43240494
N-(2-aminoethyl)-3-(3-bromophenyl)propanamide
CID 94697075
N-(3-aminobutyl)-3-(3-bromophenyl)propanamide
CID 119497411
3-(3-bromophenyl)-N-(3-butoxypropyl)propanamide
CID 127122247
3-(3-bromophenyl)-N-[2-(3-fluorophenyl)ethyl]propanamide
CID 127122417
3-amino-N-[2-(3-bromophenyl)ethyl]propanamide
CID 94697083
3-(3-bromophenyl)-N-[(2S)-2-hydroxypropyl]propanamide
CID 83029524
3-(4-bromo-3-methylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119501581
2-[[2-[3-(3-bromophenyl)propanoylamino]acetyl]amino]acetic acid
CID 43387616
2-(3-bromophenoxy)-N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 119502782
2-[[3-(3-bromophenyl)propanoylamino]methyl]-2-ethylbutanoic acid
CID 115429457
3-(3-bromophenyl)-N-[(2R)-2-(ethylamino)propyl]propanamide
CID 120653201

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide?
The IUPAC name of 3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide (CID 119502303) is 3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide.
What is the SMILES notation for 3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide?
The canonical SMILES for 3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide is CNCCNC(=O)CCc1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide?
The InChIKey is JLWNIEMSFRBIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-14-7-8-15-12(16)6-5-10-3-2-4-11(13)9-10/h2-4,9,14H,5-8H2,1H3,(H,15,16).
What are the key properties of 3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide?
3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide has a molecular weight of 285.18 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-[2-(methylamino)ethyl]propanamide is sourced from PubChem (CID 119502303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).