5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide

C13H16BrClN2O2 — CID 8733019

IUPAC5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H16BrClN2O2/c1-3-6-16-12(18)8(2)17-13(19)10-7-9(14)4-5-11(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,16,18)(H,17,19)/t8-/m1/s1
InChIKeyDMGSKORUZLAKFK-MRVPVSSYSA-N
MW347.64 g/mol
LogP2.75
Rot. Bonds5

About 5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide

5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 8733019) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.64 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
PubChem CID8733019
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.64 g/mol
Exact Mass346.01
IUPAC Name5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)[C@@H](C)NC(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C13H16BrClN2O2/c1-3-6-16-12(18)8(2)17-13(19)10-7-9(14)4-5-11(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,16,18)(H,17,19)/t8-/m1/s1
InChIKeyDMGSKORUZLAKFK-MRVPVSSYSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]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

4-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]-2-sulfanylbenzamide
CID 107025287
[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 5-bromo-2-chlorobenzoate
CID 9081222
(2R)-2-[(5-bromo-2-chlorobenzoyl)amino]propanoic acid
CID 78972945
5-bromo-N-[(2S)-butan-2-yl]-2-chlorobenzamide
CID 93417126
5-bromo-N-butan-2-yl-2-chlorobenzamide
CID 60629191
3-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51196385
3-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992878
4-bromo-3-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 80965532
2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992853
5-bromo-2-chloro-N-(1-chloropropan-2-yl)benzamide
CID 114299553
5-bromo-2-chloro-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92742810
2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51206303

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 8733019) is 5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)[C@@H](C)NC(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is DMGSKORUZLAKFK-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H16BrClN2O2/c1-3-6-16-12(18)8(2)17-13(19)10-7-9(14)4-5-11(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,16,18)(H,17,19)/t8-/m1/s1.
What are the key properties of 5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 347.64 g/mol, XLogP of 2.75, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 8733019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).