2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide

C13H19BrN2O — CID 107983088

IUPAC2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide
SMILESCCCNCCNC(=O)c1cccc(C)c1Br
InChIInChI=1S/C13H19BrN2O/c1-3-7-15-8-9-16-13(17)11-6-4-5-10(2)12(11)14/h4-6,15H,3,7-9H2,1-2H3,(H,16,17)
InChIKeyNCXVRZZPAMVJQE-UHFFFAOYSA-N
MW299.21 g/mol
LogP2.49
Rot. Bonds6

About 2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide

2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide (PubChem CID 107983088) has the molecular formula C13H19BrN2O and a molecular weight of 299.21 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide
PubChem CID107983088
Molecular FormulaC13H19BrN2O
Molecular Weight299.21 g/mol
Exact Mass298.07
IUPAC Name2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide
SMILESCCCNCCNC(=O)c1cccc(C)c1Br
InChIInChI=1S/C13H19BrN2O/c1-3-7-15-8-9-16-13(17)11-6-4-5-10(2)12(11)14/h4-6,15H,3,7-9H2,1-2H3,(H,16,17)
InChIKeyNCXVRZZPAMVJQE-UHFFFAOYSA-N
XLogP2.49
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 52.49
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

2-[(2-bromo-3-methylbenzoyl)amino]acetic acid
CID 106703070
4-[(2-bromo-3-methylbenzoyl)amino]-2-methylbutanoic acid
CID 114023739
2-bromo-3-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 113338730
ethyl 2-[(2-bromo-3-methylbenzoyl)amino]acetate
CID 103853398
2-bromo-N-(2-cyclobutylethyl)-3-methylbenzamide
CID 103855320
2-bromo-N-[3-(2-methoxyethoxy)propyl]-3-methylbenzamide
CID 103852955
2-bromo-N-[3-(cyclopropylamino)propyl]-3-methylbenzamide
CID 107983057
2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 103852994
2-bromo-N-[2-(bromomethyl)-2-ethylbutyl]-3-methylbenzamide
CID 106254833
2-bromo-3-methyl-N-[2-(3-methylbutoxy)ethyl]benzamide
CID 103853593
2-(2-methylphenyl)-N-[2-(propylamino)ethyl]acetamide
CID 62658241
1-(2-bromo-3-methylphenyl)butan-1-one
CID 58572622

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide?
The IUPAC name of 2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide (CID 107983088) is 2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide is CCCNCCNC(=O)c1cccc(C)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide?
The InChIKey is NCXVRZZPAMVJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O/c1-3-7-15-8-9-16-13(17)11-6-4-5-10(2)12(11)14/h4-6,15H,3,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide?
2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide has a molecular weight of 299.21 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-[2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 107983088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).