2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide

C12H13BrFNO — CID 43243374

IUPAC2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide
SMILESCCN(C(=O)c1ccc(F)cc1Br)C1CC1
InChIInChI=1S/C12H13BrFNO/c1-2-15(9-4-5-9)12(16)10-6-3-8(14)7-11(10)13/h3,6-7,9H,2,4-5H2,1H3
InChIKeyJLTWNBDSULGNJM-UHFFFAOYSA-N
MW286.14 g/mol
LogP3.21
Rot. Bonds3

About 2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide

2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide (PubChem CID 43243374) has the molecular formula C12H13BrFNO and a molecular weight of 286.14 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide
PubChem CID43243374
Molecular FormulaC12H13BrFNO
Molecular Weight286.14 g/mol
Exact Mass285.02
IUPAC Name2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide
SMILESCCN(C(=O)c1ccc(F)cc1Br)C1CC1
InChIInChI=1S/C12H13BrFNO/c1-2-15(9-4-5-9)12(16)10-6-3-8(14)7-11(10)13/h3,6-7,9H,2,4-5H2,1H3
InChIKeyJLTWNBDSULGNJM-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-N-cyclopropyl-N-ethyl-4-fluorobenzamide
CID 63109697
2-bromo-N-(cyclohexylmethyl)-N-cyclopropyl-4-fluorobenzamide
CID 60956169
2-bromo-N-cyclopropyl-5-fluoro-N-propylbenzamide
CID 43270647
N-(4-aminocyclohexyl)-2-bromo-4-chloro-N-ethylbenzamide
CID 107990592
2-bromo-4-fluoro-N-methyl-N-(oxan-4-yl)benzamide
CID 43611231
4-bromo-N-cyclohexyl-N-ethyl-2-fluorobenzamide
CID 24693418
N-ethyl-5-fluoro-2-hydroxy-N-piperidin-4-ylbenzamide
CID 115299350
N-ethyl-5-fluoro-2-methyl-N-piperidin-4-ylbenzamide
CID 63048793
2-bromo-4-fluoro-N-methyl-N-(oxolan-3-yl)benzamide
CID 78947672
2,4-dibromo-N-ethyl-N-piperidin-3-ylbenzamide
CID 107939910
5-amino-2-bromo-N-cyclohexyl-N-ethyl-4-fluorobenzamide
CID 62814715
4-bromo-N-ethyl-2-fluoro-N-piperidin-4-ylbenzamide
CID 54923872

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide (CID 43243374) is 2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide is CCN(C(=O)c1ccc(F)cc1Br)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide?
The InChIKey is JLTWNBDSULGNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFNO/c1-2-15(9-4-5-9)12(16)10-6-3-8(14)7-11(10)13/h3,6-7,9H,2,4-5H2,1H3.
What are the key properties of 2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide?
2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide has a molecular weight of 286.14 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-ethyl-4-fluorobenzamide is sourced from PubChem (CID 43243374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).