3-bromo-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide

C14H20BrN3O2 — CID 119765648

IUPAC3-bromo-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide
SMILESCNCC(C)C(=O)NCCNC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H20BrN3O2/c1-10(9-16-2)13(19)17-6-7-18-14(20)11-4-3-5-12(15)8-11/h3-5,8,10,16H,6-7,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyWAPGSYARCSNZEL-UHFFFAOYSA-N
MW342.24 g/mol
LogP1.15
Rot. Bonds7

About 3-bromo-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide

3-bromo-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide (PubChem CID 119765648) has the molecular formula C14H20BrN3O2 and a molecular weight of 342.24 g/mol. Its IUPAC name is 3-bromo-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide
PubChem CID119765648
Molecular FormulaC14H20BrN3O2
Molecular Weight342.24 g/mol
Exact Mass341.07
IUPAC Name3-bromo-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide
SMILESCNCC(C)C(=O)NCCNC(=O)c1cccc(Br)c1
InChIInChI=1S/C14H20BrN3O2/c1-10(9-16-2)13(19)17-6-7-18-14(20)11-4-3-5-12(15)8-11/h3-5,8,10,16H,6-7,9H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyWAPGSYARCSNZEL-UHFFFAOYSA-N
XLogP1.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.24
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-N-(2-methylbutyl)benzamide
CID 62693100
N-ethyl-3-[[[2-methyl-3-(methylamino)propanoyl]amino]methyl]benzamide
CID 119734831
3-bromo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537613
3-bromo-N-[2-(4-oxopentanoylamino)ethyl]benzamide
CID 108539699
N-[3-[[(2S)-2-amino-4-methylpentanoyl]amino]propyl]-3-bromobenzamide
CID 119763919
3-bromo-N-dodecylbenzamide
CID 603918
3-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51196385
N-[2-[(3-bromobenzoyl)amino]ethyl]-2-methylbenzamide
CID 108539696
3-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992878
3-bromo-N-(5-chloro-4-methylpentyl)benzamide
CID 106157091
3-bromo-N-[2-[2-(2-propan-2-ylphenoxy)propanoylamino]ethyl]benzamide
CID 108539653
3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide
CID 51104006

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide (CID 119765648) is 3-bromo-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide is CNCC(C)C(=O)NCCNC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide?
The InChIKey is WAPGSYARCSNZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3O2/c1-10(9-16-2)13(19)17-6-7-18-14(20)11-4-3-5-12(15)8-11/h3-5,8,10,16H,6-7,9H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of 3-bromo-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide?
3-bromo-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide has a molecular weight of 342.24 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[[2-methyl-3-(methylamino)propanoyl]amino]ethyl]benzamide is sourced from PubChem (CID 119765648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).