2-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzamide

C14H19BrFNO2 — CID 114113916

IUPAC2-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzamide
SMILESCCOCC(NC(=O)c1cccc(F)c1Br)C(C)C
InChIInChI=1S/C14H19BrFNO2/c1-4-19-8-12(9(2)3)17-14(18)10-6-5-7-11(16)13(10)15/h5-7,9,12H,4,8H2,1-3H3,(H,17,18)
InChIKeyCBEATRMVNHRSQW-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.38
Rot. Bonds6

About 2-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzamide

2-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzamide (PubChem CID 114113916) has the molecular formula C14H19BrFNO2 and a molecular weight of 332.21 g/mol. Its IUPAC name is 2-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzamide
PubChem CID114113916
Molecular FormulaC14H19BrFNO2
Molecular Weight332.21 g/mol
Exact Mass331.06
IUPAC Name2-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzamide
SMILESCCOCC(NC(=O)c1cccc(F)c1Br)C(C)C
InChIInChI=1S/C14H19BrFNO2/c1-4-19-8-12(9(2)3)17-14(18)10-6-5-7-11(16)13(10)15/h5-7,9,12H,4,8H2,1-3H3,(H,17,18)
InChIKeyCBEATRMVNHRSQW-UHFFFAOYSA-N
XLogP3.38
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-2-methylbenzamide
CID 103274844
N-[(2R)-1-aminopropan-2-yl]-2-bromo-3-fluorobenzamide
CID 104877025
N-(1-ethoxy-3-methylbutan-2-yl)-3-fluoropyridine-4-carboxamide
CID 103274823
2-bromo-5-chloro-N-(1-ethoxy-3-methylbutan-2-yl)benzamide
CID 103278099
2,3-difluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 79249315
2-bromo-3-fluoro-N-(3-hydroxy-4-methoxybutyl)benzamide
CID 106243511
2,3-difluoro-N-(1-hydroxy-4-methylpentan-3-yl)benzamide
CID 103751041
2-bromo-3-fluoro-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106281965
2-bromo-N-[3-(ethylamino)-3-oxopropyl]-3-fluorobenzamide
CID 113410640
2-chloro-3-fluoro-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]benzamide
CID 81461590
N-(1-bromo-4-methylpentan-3-yl)-2-chloro-3-fluorobenzamide
CID 114177751
5-amino-2-fluoro-N-(1-methoxy-3-methylbutan-2-yl)benzamide
CID 65049581

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzamide?
The IUPAC name of 2-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzamide (CID 114113916) is 2-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzamide.
What is the SMILES notation for 2-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzamide?
The canonical SMILES for 2-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzamide is CCOCC(NC(=O)c1cccc(F)c1Br)C(C)C.
What is the InChIKey of 2-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzamide?
The InChIKey is CBEATRMVNHRSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFNO2/c1-4-19-8-12(9(2)3)17-14(18)10-6-5-7-11(16)13(10)15/h5-7,9,12H,4,8H2,1-3H3,(H,17,18).
What are the key properties of 2-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzamide?
2-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzamide has a molecular weight of 332.21 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-ethoxy-3-methylbutan-2-yl)-3-fluorobenzamide is sourced from PubChem (CID 114113916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).