2-bromo-N-[3-(ethylamino)-3-oxopropyl]-3-fluorobenzamide

C12H14BrFN2O2 — CID 113410640

IUPAC2-bromo-N-[3-(ethylamino)-3-oxopropyl]-3-fluorobenzamide
SMILESCCNC(=O)CCNC(=O)c1cccc(F)c1Br
InChIInChI=1S/C12H14BrFN2O2/c1-2-15-10(17)6-7-16-12(18)8-4-3-5-9(14)11(8)13/h3-5H,2,6-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyHIFPZBOOILINFP-UHFFFAOYSA-N
MW317.16 g/mol
LogP1.84
Rot. Bonds5

About 2-bromo-N-[3-(ethylamino)-3-oxopropyl]-3-fluorobenzamide

2-bromo-N-[3-(ethylamino)-3-oxopropyl]-3-fluorobenzamide (PubChem CID 113410640) has the molecular formula C12H14BrFN2O2 and a molecular weight of 317.16 g/mol. Its IUPAC name is 2-bromo-N-[3-(ethylamino)-3-oxopropyl]-3-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(ethylamino)-3-oxopropyl]-3-fluorobenzamide
PubChem CID113410640
Molecular FormulaC12H14BrFN2O2
Molecular Weight317.16 g/mol
Exact Mass316.02
IUPAC Name2-bromo-N-[3-(ethylamino)-3-oxopropyl]-3-fluorobenzamide
SMILESCCNC(=O)CCNC(=O)c1cccc(F)c1Br
InChIInChI=1S/C12H14BrFN2O2/c1-2-15-10(17)6-7-16-12(18)8-4-3-5-9(14)11(8)13/h3-5H,2,6-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyHIFPZBOOILINFP-UHFFFAOYSA-N
XLogP1.84
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.16
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide
CID 113409457
2-bromo-3-fluoro-N-(5-hydroxypentyl)benzamide
CID 107317884
2-bromo-3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 115360486
2-bromo-N-(2-chloro-3-ethylpentyl)-3-fluorobenzamide
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N-(4-azidobutyl)-2-bromo-3-fluorobenzamide
CID 106386317
N-[2-(ethylcarbamoylamino)ethyl]-2-fluorobenzamide
CID 47337929
2-bromo-3-fluoro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106243511
2-amino-3-fluoro-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 55099722
2-bromo-N-[2-(2-bromoethyl)pentyl]-3-fluorobenzamide
CID 114145812
4-[(2-bromo-3-fluorobenzoyl)amino]-2-fluoro-3-methylbutanoic acid
CID 166279725
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 106143245

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(ethylamino)-3-oxopropyl]-3-fluorobenzamide?
The IUPAC name of 2-bromo-N-[3-(ethylamino)-3-oxopropyl]-3-fluorobenzamide (CID 113410640) is 2-bromo-N-[3-(ethylamino)-3-oxopropyl]-3-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-[3-(ethylamino)-3-oxopropyl]-3-fluorobenzamide?
The canonical SMILES for 2-bromo-N-[3-(ethylamino)-3-oxopropyl]-3-fluorobenzamide is CCNC(=O)CCNC(=O)c1cccc(F)c1Br.
What is the InChIKey of 2-bromo-N-[3-(ethylamino)-3-oxopropyl]-3-fluorobenzamide?
The InChIKey is HIFPZBOOILINFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O2/c1-2-15-10(17)6-7-16-12(18)8-4-3-5-9(14)11(8)13/h3-5H,2,6-7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-bromo-N-[3-(ethylamino)-3-oxopropyl]-3-fluorobenzamide?
2-bromo-N-[3-(ethylamino)-3-oxopropyl]-3-fluorobenzamide has a molecular weight of 317.16 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(ethylamino)-3-oxopropyl]-3-fluorobenzamide is sourced from PubChem (CID 113410640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).