4-bromo-3-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide

C13H16BrClN2O2 — CID 80965532

IUPAC4-bromo-3-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)C(C)NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H16BrClN2O2/c1-3-6-16-12(18)8(2)17-13(19)9-4-5-10(14)11(15)7-9/h4-5,7-8H,3,6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyADPVLXXDUFUFNY-UHFFFAOYSA-N
MW347.64 g/mol
LogP2.75
Rot. Bonds5

About 4-bromo-3-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide

4-bromo-3-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 80965532) has the molecular formula C13H16BrClN2O2 and a molecular weight of 347.64 g/mol. Its IUPAC name is 4-bromo-3-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name4-bromo-3-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
PubChem CID80965532
Molecular FormulaC13H16BrClN2O2
Molecular Weight347.64 g/mol
Exact Mass346.01
IUPAC Name4-bromo-3-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)C(C)NC(=O)c1ccc(Br)c(Cl)c1
InChIInChI=1S/C13H16BrClN2O2/c1-3-6-16-12(18)8(2)17-13(19)9-4-5-10(14)11(15)7-9/h4-5,7-8H,3,6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyADPVLXXDUFUFNY-UHFFFAOYSA-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

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Related Compounds

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
3-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992872
5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733019
4-bromo-3-chloro-N-(1-cyano-2-methylpropyl)benzamide
CID 81003026
3-fluoro-4-methyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 41089115
2,6-dichloro-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 60659620
4-bromo-3-chloro-N-(1-hydroxy-4-methylpentan-2-yl)benzamide
CID 81295056
4-bromo-3-chloro-N-(2-methylbutyl)benzamide
CID 81308083
methyl 4-[[(2R)-1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoate
CID 8733711
N-(3-aminobutyl)-4-bromo-3-chlorobenzamide
CID 81295761
3-fluoro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992916

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 4-bromo-3-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 80965532) is 4-bromo-3-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 4-bromo-3-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 4-bromo-3-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)C(C)NC(=O)c1ccc(Br)c(Cl)c1.
What is the InChIKey of 4-bromo-3-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is ADPVLXXDUFUFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O2/c1-3-6-16-12(18)8(2)17-13(19)9-4-5-10(14)11(15)7-9/h4-5,7-8H,3,6H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 4-bromo-3-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
4-bromo-3-chloro-N-[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 4-bromo-3-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 80965532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).