4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide

C12H16BrFN2O — CID 120650065

IUPAC4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
SMILESCCN[C@H](C)CNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O/c1-3-15-8(2)7-16-12(17)10-5-4-9(13)6-11(10)14/h4-6,8,15H,3,7H2,1-2H3,(H,16,17)/t8-/m1/s1
InChIKeySLEFZHJRRRZJNF-MRVPVSSYSA-N
MW303.18 g/mol
LogP2.32
Rot. Bonds5

About 4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide

4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide (PubChem CID 120650065) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is 4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
PubChem CID120650065
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide
SMILESCCN[C@H](C)CNC(=O)c1ccc(Br)cc1F
InChIInChI=1S/C12H16BrFN2O/c1-3-15-8(2)7-16-12(17)10-5-4-9(13)6-11(10)14/h4-6,8,15H,3,7H2,1-2H3,(H,16,17)/t8-/m1/s1
InChIKeySLEFZHJRRRZJNF-MRVPVSSYSA-N
XLogP2.32
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-N-(2-methylbutyl)benzamide
CID 55210019
4-bromo-2-fluoro-N-(2,3,3-trimethylbutyl)benzamide
CID 78965747
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzamide
CID 79080028
N-(2-aminobutyl)-4-bromo-2-fluorobenzamide
CID 63732420
N-[(2R)-2-(ethylamino)propyl]-2,5-difluorobenzamide
CID 120651737
4-bromo-N-(2,2-dimethoxyethyl)-2-fluorobenzamide
CID 61247809
2-bromo-N-[(2R)-2-(ethylamino)propyl]-5-fluorobenzamide;hydrochloride
CID 120651990
4-bromo-2-fluoro-N-[(2R)-2-phenylpropyl]benzamide
CID 9089971
5-chloro-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide;hydrochloride
CID 120651308
N-[(2R)-2-(ethylamino)propyl]-2-fluoro-5-methylbenzamide
CID 120654085
4-bromo-2-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60674522
2-bromo-5-chloro-N-[(2R)-2-(ethylamino)propyl]benzamide
CID 120654149

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide?
The IUPAC name of 4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide (CID 120650065) is 4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide.
What is the SMILES notation for 4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide?
The canonical SMILES for 4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide is CCN[C@H](C)CNC(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide?
The InChIKey is SLEFZHJRRRZJNF-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-3-15-8(2)7-16-12(17)10-5-4-9(13)6-11(10)14/h4-6,8,15H,3,7H2,1-2H3,(H,16,17)/t8-/m1/s1.
What are the key properties of 4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide?
4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide has a molecular weight of 303.18 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2R)-2-(ethylamino)propyl]-2-fluorobenzamide is sourced from PubChem (CID 120650065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).