5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

C14H19BrN2O3 — CID 47100210

IUPAC5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C14H19BrN2O3/c1-4-17(8-13(19)16-9(2)3)14(20)11-7-10(15)5-6-12(11)18/h5-7,9,18H,4,8H2,1-3H3,(H,16,19)
InChIKeyZOHOHQGHQNUDSG-UHFFFAOYSA-N
MW343.22 g/mol
LogP2.14
Rot. Bonds5

About 5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide

5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (PubChem CID 47100210) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
PubChem CID47100210
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
SMILESCCN(CC(=O)NC(C)C)C(=O)c1cc(Br)ccc1O
InChIInChI=1S/C14H19BrN2O3/c1-4-17(8-13(19)16-9(2)3)14(20)11-7-10(15)5-6-12(11)18/h5-7,9,18H,4,8H2,1-3H3,(H,16,19)
InChIKeyZOHOHQGHQNUDSG-UHFFFAOYSA-N
XLogP2.14
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(5-bromo-2-hydroxybenzoyl)-ethylamino]acetic acid
CID 107729311
4-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 8892305
5-bromo-N,N-diethyl-2-hydroxybenzamide;N-ethylethanamine
CID 157374545
5-bromo-2-hydroxy-N-[3-oxo-3-(propan-2-ylamino)propyl]benzamide
CID 103719384
3-[(5-bromo-2-hydroxybenzoyl)-ethylamino]-2-methylpropanoic acid
CID 107729348
3-bromo-N-ethyl-2-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 106544231
N-ethyl-3-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-2-carboxamide
CID 54986003
5-bromo-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]furan-2-carboxamide
CID 18155632
3-bromo-N-[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-2-oxoethyl]benzamide
CID 51193380
N-ethyl-2-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 18155625
N-ethyl-2,4-dimethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 51172774
5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-hydroxybenzamide
CID 103280942

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The IUPAC name of 5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide (CID 47100210) is 5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The canonical SMILES for 5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is CCN(CC(=O)NC(C)C)C(=O)c1cc(Br)ccc1O.
What is the InChIKey of 5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
The InChIKey is ZOHOHQGHQNUDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-4-17(8-13(19)16-9(2)3)14(20)11-7-10(15)5-6-12(11)18/h5-7,9,18H,4,8H2,1-3H3,(H,16,19).
What are the key properties of 5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide?
5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide has a molecular weight of 343.22 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-hydroxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 47100210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).