3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide

C15H19BrFNO2 — CID 106547829

IUPAC3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1cccc(Br)c1F)N(CCO)C1CCCCC1
InChIInChI=1S/C15H19BrFNO2/c16-13-8-4-7-12(14(13)17)15(20)18(9-10-19)11-5-2-1-3-6-11/h4,7-8,11,19H,1-3,5-6,9-10H2
InChIKeyRCTQVEYNCMLACX-UHFFFAOYSA-N
MW344.22 g/mol
LogP3.36
Rot. Bonds4

About 3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide

3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide (PubChem CID 106547829) has the molecular formula C15H19BrFNO2 and a molecular weight of 344.22 g/mol. Its IUPAC name is 3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
PubChem CID106547829
Molecular FormulaC15H19BrFNO2
Molecular Weight344.22 g/mol
Exact Mass343.06
IUPAC Name3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
SMILESO=C(c1cccc(Br)c1F)N(CCO)C1CCCCC1
InChIInChI=1S/C15H19BrFNO2/c16-13-8-4-7-12(14(13)17)15(20)18(9-10-19)11-5-2-1-3-6-11/h4,7-8,11,19H,1-3,5-6,9-10H2
InChIKeyRCTQVEYNCMLACX-UHFFFAOYSA-N
XLogP3.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-2-fluoro-N-(2-hydroxyethyl)-N-(1-methylpiperidin-4-yl)benzamide
CID 107952170
3-bromo-N-cyclopentyl-2-fluoro-N-(3-methylbutyl)benzamide
CID 107952814
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide
CID 54942691
N-(2-amino-2-sulfanylideneethyl)-3-bromo-N-cyclopentyl-2-fluorobenzamide
CID 107951244
N-cyclopentyl-2,3,4-trifluoro-N-(2-hydroxyethyl)benzamide
CID 79749875
2-amino-N-cyclopentyl-3-fluoro-N-(2-hydroxyethyl)benzamide
CID 62662448
2-bromo-N-(2-chloroethyl)-N-cyclopentylbenzamide
CID 55187214
3-amino-N-cyclopentyl-N-(2-hydroxyethyl)-2-methylbenzamide
CID 61115530
1-N,4-N-dicyclohexyl-1-N,4-N-bis(2-hydroxyethyl)benzene-1,4-dicarboxamide
CID 3317185
2-bromo-N-(2-bromoethyl)-N-cyclobutylbenzamide
CID 102873258
3-chloro-N-(2-chloroethyl)-N-cyclobutyl-2-fluorobenzamide
CID 102872859
N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62510137

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide (CID 106547829) is 3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide is O=C(c1cccc(Br)c1F)N(CCO)C1CCCCC1.
What is the InChIKey of 3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide?
The InChIKey is RCTQVEYNCMLACX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO2/c16-13-8-4-7-12(14(13)17)15(20)18(9-10-19)11-5-2-1-3-6-11/h4,7-8,11,19H,1-3,5-6,9-10H2.
What are the key properties of 3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide?
3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide has a molecular weight of 344.22 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclohexyl-2-fluoro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 106547829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).