2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide

C13H17BrN2O2 — CID 7992853

IUPAC2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)[C@H](C)NC(=O)c1ccccc1Br
InChIInChI=1S/C13H17BrN2O2/c1-3-8-15-12(17)9(2)16-13(18)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H,15,17)(H,16,18)/t9-/m0/s1
InChIKeyRPULJCLMZWYWHU-VIFPVBQESA-N
MW313.19 g/mol
LogP2.09
Rot. Bonds5

About 2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide

2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 7992853) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
PubChem CID7992853
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)[C@H](C)NC(=O)c1ccccc1Br
InChIInChI=1S/C13H17BrN2O2/c1-3-8-15-12(17)9(2)16-13(18)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H,15,17)(H,16,18)/t9-/m0/s1
InChIKeyRPULJCLMZWYWHU-VIFPVBQESA-N
XLogP2.09
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]benzoic acid
CID 60941467
2-methylsulfanyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 39964497
2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51206303
5-bromo-2-chloro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733019
2-bromo-N-[2-oxo-2-(propylamino)ethyl]benzamide
CID 18162727
[2-oxo-2-(propylamino)ethyl] (2S)-2-[(2-bromobenzoyl)amino]-3-methylbutanoate
CID 2599071
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
2-amino-3-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 55100204
4-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]-2-sulfanylbenzamide
CID 107025287
methyl 2-[2-[[1-oxo-1-(propylamino)propan-2-yl]carbamoyl]phenyl]sulfanylpropanoate
CID 51121045
hexadecyl 2-[(2-bromobenzoyl)amino]propanoate
CID 6425550

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 7992853) is 2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)[C@H](C)NC(=O)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is RPULJCLMZWYWHU-VIFPVBQESA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-3-8-15-12(17)9(2)16-13(18)10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H,15,17)(H,16,18)/t9-/m0/s1.
What are the key properties of 2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 313.19 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 7992853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).