3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide

C12H15BrFNO2 — CID 113339415

IUPAC3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
SMILESCCN(CCCO)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H15BrFNO2/c1-2-15(6-3-7-16)12(17)9-4-5-11(14)10(13)8-9/h4-5,8,16H,2-3,6-7H2,1H3
InChIKeyBEJFFNXECMLDQE-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.43
Rot. Bonds5

About 3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide

3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide (PubChem CID 113339415) has the molecular formula C12H15BrFNO2 and a molecular weight of 304.16 g/mol. Its IUPAC name is 3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
PubChem CID113339415
Molecular FormulaC12H15BrFNO2
Molecular Weight304.16 g/mol
Exact Mass303.03
IUPAC Name3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide
SMILESCCN(CCCO)C(=O)c1ccc(F)c(Br)c1
InChIInChI=1S/C12H15BrFNO2/c1-2-15(6-3-7-16)12(17)9-4-5-11(14)10(13)8-9/h4-5,8,16H,2-3,6-7H2,1H3
InChIKeyBEJFFNXECMLDQE-UHFFFAOYSA-N
XLogP2.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-ethyl-3-fluoro-N-(3-hydroxypropyl)benzamide
CID 115772086
3-bromo-N,N-dibutyl-4-fluorobenzamide
CID 103706821
3-bromo-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107300854
N-[(4-aminophenyl)methyl]-3-bromo-N-ethyl-4-fluorobenzamide
CID 107948752
3-bromo-4-chloro-N-ethyl-N-(2-hydroxyethyl)benzamide
CID 103849938
N,4-diethyl-N-(3-hydroxypropyl)benzamide
CID 115771638
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-3-bromo-N-ethyl-4-fluorobenzamide
CID 107951184
N,N-bis(2-amino-2-oxoethyl)-3-bromo-4-fluorobenzamide
CID 103707264
4-bromo-3-fluoro-N,N-dipentylbenzamide
CID 63524944
5-bromo-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 115772011
3-bromo-N-ethyl-4-fluoro-N-(4-fluorophenyl)benzamide
CID 103706641
5-bromo-N-ethyl-N-(3-hydroxypropyl)thiophene-3-carboxamide
CID 115771703

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide?
The IUPAC name of 3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide (CID 113339415) is 3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide.
What is the SMILES notation for 3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide?
The canonical SMILES for 3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide is CCN(CCCO)C(=O)c1ccc(F)c(Br)c1.
What is the InChIKey of 3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide?
The InChIKey is BEJFFNXECMLDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO2/c1-2-15(6-3-7-16)12(17)9-4-5-11(14)10(13)8-9/h4-5,8,16H,2-3,6-7H2,1H3.
What are the key properties of 3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide?
3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide has a molecular weight of 304.16 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-4-fluoro-N-(3-hydroxypropyl)benzamide is sourced from PubChem (CID 113339415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).