2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide

C13H16F2N2O2 — CID 8733040

IUPAC2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)[C@H](C)NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O2/c1-3-6-16-12(18)8(2)17-13(19)10-5-4-9(14)7-11(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,16,18)(H,17,19)/t8-/m0/s1
InChIKeySAGAVCLXXBNXDT-QMMMGPOBSA-N
MW270.28 g/mol
LogP1.61
Rot. Bonds5

About 2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide

2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide (PubChem CID 8733040) has the molecular formula C13H16F2N2O2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide.

Molecular Properties

Compound Name2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
PubChem CID8733040
Molecular FormulaC13H16F2N2O2
Molecular Weight270.28 g/mol
Exact Mass270.12
IUPAC Name2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
SMILESCCCNC(=O)[C@H](C)NC(=O)c1ccc(F)cc1F
InChIInChI=1S/C13H16F2N2O2/c1-3-6-16-12(18)8(2)17-13(19)10-5-4-9(14)7-11(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,16,18)(H,17,19)/t8-/m0/s1
InChIKeySAGAVCLXXBNXDT-QMMMGPOBSA-N
XLogP1.61
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 51206303
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
4-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-2-fluorobenzamide
CID 24683116
3-fluoro-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 7992916
2-[1-(2,4-difluorophenyl)ethylamino]-N-propylpropanamide
CID 43226798
2-chloro-N-[1-(ethylamino)-1-oxopropan-2-yl]-4-fluorobenzamide
CID 47112870
2-amino-4-chloro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 61476340
2-amino-3-fluoro-N-[1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 55100204
3-fluoro-4-methyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 41089115
N-[1-(2,4-difluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51150419
2-fluoro-4-hydroxy-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]benzamide
CID 107676818

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The IUPAC name of 2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide (CID 8733040) is 2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide.
What is the SMILES notation for 2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The canonical SMILES for 2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide is CCCNC(=O)[C@H](C)NC(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
The InChIKey is SAGAVCLXXBNXDT-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H16F2N2O2/c1-3-6-16-12(18)8(2)17-13(19)10-5-4-9(14)7-11(10)15/h4-5,7-8H,3,6H2,1-2H3,(H,16,18)(H,17,19)/t8-/m0/s1.
What are the key properties of 2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide?
2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide has a molecular weight of 270.28 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide is sourced from PubChem (CID 8733040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).