4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide

C14H20FNO2 — CID 111447266

IUPAC4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(C)CC(C)O)ccc1F
InChIInChI=1S/C14H20FNO2/c1-9(6-11(3)17)8-16-14(18)12-4-5-13(15)10(2)7-12/h4-5,7,9,11,17H,6,8H2,1-3H3,(H,16,18)
InChIKeyZFIHGKUGGKVBHB-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.27
Rot. Bonds5

About 4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide

4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide (PubChem CID 111447266) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide
PubChem CID111447266
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NCC(C)CC(C)O)ccc1F
InChIInChI=1S/C14H20FNO2/c1-9(6-11(3)17)8-16-14(18)12-4-5-13(15)10(2)7-12/h4-5,7,9,11,17H,6,8H2,1-3H3,(H,16,18)
InChIKeyZFIHGKUGGKVBHB-UHFFFAOYSA-N
XLogP2.27
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-hydroxy-2-methylpentyl)-3-methoxy-4-methylbenzamide
CID 111447086
N-(2-cyclopropyl-2-hydroxyethyl)-4-fluoro-3-methylbenzamide
CID 63298880
3-fluoro-N-(2-hydroxypropyl)-4-methylbenzamide
CID 42919303
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
N-(2-amino-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 63767461
N-(2-chloro-2-cyclopropylethyl)-4-fluoro-3-methylbenzamide
CID 114305026
N-(2-chloro-2-phenylethyl)-4-fluoro-3-methylbenzamide
CID 114295622
N-[2-(2-chlorophenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide
CID 111451028
N-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-4-fluoro-3-methylbenzamide
CID 122140846
4-fluoro-3-methyl-N-(3-methyl-2-pyrrolidin-1-ylbutyl)benzamide
CID 63212942
3,4-difluoro-N-[(2S)-2-methyl-3-(methylamino)propyl]benzamide
CID 97325194
3,4-difluoro-N-[(2R)-2-methyl-3-(methylamino)propyl]benzamide
CID 97325195

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide?
The IUPAC name of 4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide (CID 111447266) is 4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide.
What is the SMILES notation for 4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide?
The canonical SMILES for 4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide is Cc1cc(C(=O)NCC(C)CC(C)O)ccc1F.
What is the InChIKey of 4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide?
The InChIKey is ZFIHGKUGGKVBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-9(6-11(3)17)8-16-14(18)12-4-5-13(15)10(2)7-12/h4-5,7,9,11,17H,6,8H2,1-3H3,(H,16,18).
What are the key properties of 4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide?
4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide has a molecular weight of 253.32 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(4-hydroxy-2-methylpentyl)-3-methylbenzamide is sourced from PubChem (CID 111447266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).