2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide

C14H18BrFN2O2 — CID 115583771

IUPAC2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide
SMILESCC(C)CNC(=O)CCNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C14H18BrFN2O2/c1-9(2)8-18-13(19)5-6-17-14(20)11-7-10(16)3-4-12(11)15/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyAKEAOSYYTWKGBM-UHFFFAOYSA-N
MW345.21 g/mol
LogP2.48
Rot. Bonds6

About 2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide

2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide (PubChem CID 115583771) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide
PubChem CID115583771
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC Name2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide
SMILESCC(C)CNC(=O)CCNC(=O)c1cc(F)ccc1Br
InChIInChI=1S/C14H18BrFN2O2/c1-9(2)8-18-13(19)5-6-17-14(20)11-7-10(16)3-4-12(11)15/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyAKEAOSYYTWKGBM-UHFFFAOYSA-N
XLogP2.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-bromo-5-fluoro-N-[3-[4-(2-methylpropanoyl)piperazin-1-yl]-3-oxopropyl]benzamide
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CID 55792738
2-bromo-5-fluoro-N-[3-(1-morpholin-4-ylpropan-2-ylamino)-3-oxopropyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide?
The IUPAC name of 2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide (CID 115583771) is 2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide.
What is the SMILES notation for 2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide?
The canonical SMILES for 2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide is CC(C)CNC(=O)CCNC(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide?
The InChIKey is AKEAOSYYTWKGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c1-9(2)8-18-13(19)5-6-17-14(20)11-7-10(16)3-4-12(11)15/h3-4,7,9H,5-6,8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide?
2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide has a molecular weight of 345.21 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[3-(2-methylpropylamino)-3-oxopropyl]benzamide is sourced from PubChem (CID 115583771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).