N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide

C11H14BrFN2O — CID 119997831

IUPACN-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
SMILESCC(CN)CNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H14BrFN2O/c1-7(5-14)6-15-11(16)9-4-8(13)2-3-10(9)12/h2-4,7H,5-6,14H2,1H3,(H,15,16)
InChIKeyGYXSGLFVPZVLTR-UHFFFAOYSA-N
MW289.15 g/mol
LogP1.91
Rot. Bonds4

About N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide

N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide (PubChem CID 119997831) has the molecular formula C11H14BrFN2O and a molecular weight of 289.15 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
PubChem CID119997831
Molecular FormulaC11H14BrFN2O
Molecular Weight289.15 g/mol
Exact Mass288.03
IUPAC NameN-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
SMILESCC(CN)CNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C11H14BrFN2O/c1-7(5-14)6-15-11(16)9-4-8(13)2-3-10(9)12/h2-4,7H,5-6,14H2,1H3,(H,15,16)
InChIKeyGYXSGLFVPZVLTR-UHFFFAOYSA-N
XLogP1.91
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.15
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-2-bromo-5-methoxybenzamide
CID 119996618
2-bromo-N-[2-(dimethylamino)propyl]-5-fluorobenzamide
CID 60748378
N-(3-amino-2-methylpropyl)-4-fluoro-2-iodobenzamide;hydrochloride
CID 119995600
2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride
CID 120651990
N-(3-aminobutyl)-2-bromo-5-fluorobenzamide;hydrochloride
CID 119499518
2-[[(2-bromo-5-fluorobenzoyl)amino]methyl]butanoic acid
CID 65218202
2-bromo-4-fluoro-N-(2-methylbutyl)benzamide
CID 62693317
N-(2-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide
CID 81483150
N-[3-[1-aminopropan-2-yl(methyl)amino]-3-oxopropyl]-2-bromo-5-fluorobenzamide
CID 119583493
2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide
CID 115583771
2-bromo-5-fluoro-N-[2-(2-methylpropylcarbamoyl)phenyl]benzamide
CID 34731927
2-bromo-N-[2-[di(propan-2-yl)amino]ethyl]-5-fluorobenzamide
CID 18160843

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide (CID 119997831) is N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide is CC(CN)CNC(=O)c1cc(F)ccc1Br.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide?
The InChIKey is GYXSGLFVPZVLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O/c1-7(5-14)6-15-11(16)9-4-8(13)2-3-10(9)12/h2-4,7H,5-6,14H2,1H3,(H,15,16).
What are the key properties of N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide?
N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide has a molecular weight of 289.15 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-bromo-5-fluorobenzamide is sourced from PubChem (CID 119997831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).