5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide

C15H22FNO2 — CID 63049149

IUPAC5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCO)C(=O)c1cc(F)ccc1C
InChIInChI=1S/C15H22FNO2/c1-4-13(5-2)17(8-9-18)15(19)14-10-12(16)7-6-11(14)3/h6-7,10,13,18H,4-5,8-9H2,1-3H3
InChIKeyQAEFLOLWUCOCAG-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.76
Rot. Bonds6

About 5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide

5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide (PubChem CID 63049149) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is 5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide
PubChem CID63049149
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Name5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(CCO)C(=O)c1cc(F)ccc1C
InChIInChI=1S/C15H22FNO2/c1-4-13(5-2)17(8-9-18)15(19)14-10-12(16)7-6-11(14)3/h6-7,10,13,18H,4-5,8-9H2,1-3H3
InChIKeyQAEFLOLWUCOCAG-UHFFFAOYSA-N
XLogP2.76
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-5-fluoro-N-(2-hydroxyethyl)-2-methylbenzamide
CID 60706405
5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 60706402
N-(2-hydroxyethyl)-3,4-dimethyl-N-pentan-3-ylbenzamide
CID 54993744
N-(2-hydroxyethyl)-4-methyl-N-pentan-3-ylthiophene-3-carboxamide
CID 79808703
4-chloro-2,5-difluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 82772197
N-ethyl-5-fluoro-N-(3-hydroxypropyl)-2-methylbenzamide
CID 113339465
methyl 2-[(5-fluoro-2-methylbenzoyl)-propan-2-ylamino]acetate
CID 60779527
3-amino-4-fluoro-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 54995378
2-(ethylamino)-N-(2-hydroxyethyl)-N-pentan-3-ylbenzamide
CID 62175910
3-bromo-N-(2-hydroxyethyl)-N-pentan-3-ylthiophene-2-carboxamide
CID 63797282
N-(2-bromoethyl)-3-fluoro-4-methyl-N-pentan-3-ylbenzamide
CID 80670865
N-(1-cyanopropan-2-yl)-5-fluoro-N,2-dimethylbenzamide
CID 63224589

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide?
The IUPAC name of 5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide (CID 63049149) is 5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for 5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide?
The canonical SMILES for 5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide is CCC(CC)N(CCO)C(=O)c1cc(F)ccc1C.
What is the InChIKey of 5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide?
The InChIKey is QAEFLOLWUCOCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-4-13(5-2)17(8-9-18)15(19)14-10-12(16)7-6-11(14)3/h6-7,10,13,18H,4-5,8-9H2,1-3H3.
What are the key properties of 5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide?
5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide has a molecular weight of 267.34 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-hydroxyethyl)-2-methyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 63049149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).