5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-hydroxybenzamide

C12H17BrN2O2 — CID 120653917

IUPAC5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-hydroxybenzamide
SMILESCCN[C@H](C)CNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H17BrN2O2/c1-3-14-8(2)7-15-12(17)10-6-9(13)4-5-11(10)16/h4-6,8,14,16H,3,7H2,1-2H3,(H,15,17)/t8-/m1/s1
InChIKeyHNGNLZLMHFIUDH-MRVPVSSYSA-N
MW301.18 g/mol
LogP1.88
Rot. Bonds5

About 5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-hydroxybenzamide

5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-hydroxybenzamide (PubChem CID 120653917) has the molecular formula C12H17BrN2O2 and a molecular weight of 301.18 g/mol. Its IUPAC name is 5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-hydroxybenzamide
PubChem CID120653917
Molecular FormulaC12H17BrN2O2
Molecular Weight301.18 g/mol
Exact Mass300.05
IUPAC Name5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-hydroxybenzamide
SMILESCCN[C@H](C)CNC(=O)c1cc(Br)ccc1O
InChIInChI=1S/C12H17BrN2O2/c1-3-14-8(2)7-15-12(17)10-6-9(13)4-5-11(10)16/h4-6,8,14,16H,3,7H2,1-2H3,(H,15,17)/t8-/m1/s1
InChIKeyHNGNLZLMHFIUDH-MRVPVSSYSA-N
XLogP1.88
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.18
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-hydroxybenzamide (CID 120653917) is 5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-hydroxybenzamide is CCN[C@H](C)CNC(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-hydroxybenzamide?
The InChIKey is HNGNLZLMHFIUDH-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17BrN2O2/c1-3-14-8(2)7-15-12(17)10-6-9(13)4-5-11(10)16/h4-6,8,14,16H,3,7H2,1-2H3,(H,15,17)/t8-/m1/s1.
What are the key properties of 5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-hydroxybenzamide?
5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-hydroxybenzamide has a molecular weight of 301.18 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2R)-2-(ethylamino)propyl]-2-hydroxybenzamide is sourced from PubChem (CID 120653917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).