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

C13H16BrFN2O2 — CID 51206303

IUPAC2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)C(C)NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H16BrFN2O2/c1-3-6-16-12(18)8(2)17-13(19)10-5-4-9(15)7-11(10)14/h4-5,7-8H,3,6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyPAULRNFYFAKSDC-UHFFFAOYSA-N
MW331.19 g/mol
LogP2.23
Rot. Bonds5

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

2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 51206303) has the molecular formula C13H16BrFN2O2 and a molecular weight of 331.19 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
PubChem CID51206303
Molecular FormulaC13H16BrFN2O2
Molecular Weight331.19 g/mol
Exact Mass330.04
IUPAC Name2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)C(C)NC(=O)c1ccc(F)cc1Br
InChIInChI=1S/C13H16BrFN2O2/c1-3-6-16-12(18)8(2)17-13(19)10-5-4-9(15)7-11(10)14/h4-5,7-8H,3,6H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyPAULRNFYFAKSDC-UHFFFAOYSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.19
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733040
ethyl 2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61498783
2-bromo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992853
2-[(2-bromo-4-fluorobenzoyl)amino]propanoic acid
CID 16778204
2-bromo-4-fluoro-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 60666175
methyl (2S)-2-[(2-bromo-4-fluorobenzoyl)amino]propanoate
CID 61141421
5-fluoro-2-nitro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61041542
N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluoro-2-hydroxybenzamide
CID 113304525
(2S)-2-[[2-(2-bromo-4-fluorophenoxy)acetyl]amino]-N-propylpropanamide
CID 8733702
4-bromo-N-[1-oxo-1-(propylamino)propan-2-yl]-2-sulfanylbenzamide
CID 107025287
3-fluoro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992916
2-bromo-4-fluoro-N-(3-methylbutyl)benzamide
CID 24700389

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 51206303) is 2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)C(C)NC(=O)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is PAULRNFYFAKSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O2/c1-3-6-16-12(18)8(2)17-13(19)10-5-4-9(15)7-11(10)14/h4-5,7-8H,3,6H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of 2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide?
2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 331.19 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 51206303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).