N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide

C10H10BrFN2O2 — CID 106548051

IUPACN-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide
SMILESNC(=O)CCNC(=O)c1cccc(Br)c1F
InChIInChI=1S/C10H10BrFN2O2/c11-7-3-1-2-6(9(7)12)10(16)14-5-4-8(13)15/h1-3H,4-5H2,(H2,13,15)(H,14,16)
InChIKeyZXKAGSSPHZETKU-UHFFFAOYSA-N
MW289.10 g/mol
LogP1.19
Rot. Bonds4

About N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide

N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide (PubChem CID 106548051) has the molecular formula C10H10BrFN2O2 and a molecular weight of 289.10 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide
PubChem CID106548051
Molecular FormulaC10H10BrFN2O2
Molecular Weight289.10 g/mol
Exact Mass287.99
IUPAC NameN-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide
SMILESNC(=O)CCNC(=O)c1cccc(Br)c1F
InChIInChI=1S/C10H10BrFN2O2/c11-7-3-1-2-6(9(7)12)10(16)14-5-4-8(13)15/h1-3H,4-5H2,(H2,13,15)(H,14,16)
InChIKeyZXKAGSSPHZETKU-UHFFFAOYSA-N
XLogP1.19
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.10
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-amino-5-sulfanylidenepentyl)-3-bromo-2-fluorobenzamide
CID 107951242
4-[(3-bromo-2-fluorobenzoyl)amino]butanoic acid
CID 107948926
3-bromo-N-butyl-2-fluorobenzamide
CID 106544046
3-bromo-2-fluoro-N-(6-iodohexyl)benzamide
CID 114020519
(2S)-5-amino-2-[(3-bromo-2-fluorobenzoyl)amino]-5-oxopentanoic acid
CID 107949065
3-bromo-2-fluoro-N-[3-(methanesulfonamido)propyl]benzamide
CID 106547809
3-bromo-N-[4-(cyclopropylamino)-4-oxobutyl]-2-fluorobenzamide
CID 106547636
N-(3-amino-2,2-difluoropropyl)-3-bromo-2-fluorobenzamide
CID 107956309
N-[2-(azepan-1-yl)ethyl]-3-bromo-2-fluorobenzamide
CID 106547835
3-bromo-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 106548063
N-(3-amino-3-hydroxyiminopropyl)-2,3-difluorobenzamide
CID 76948110
N-(3-amino-3-oxopropyl)-5-bromo-2-fluorobenzamide
CID 43553754

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide (CID 106548051) is N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide is NC(=O)CCNC(=O)c1cccc(Br)c1F.
What is the InChIKey of N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide?
The InChIKey is ZXKAGSSPHZETKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrFN2O2/c11-7-3-1-2-6(9(7)12)10(16)14-5-4-8(13)15/h1-3H,4-5H2,(H2,13,15)(H,14,16).
What are the key properties of N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide?
N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide has a molecular weight of 289.10 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-3-bromo-2-fluorobenzamide is sourced from PubChem (CID 106548051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).