4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide

C12H16FNO3 — CID 81002545

IUPAC4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCC(C)O)ccc1F
InChIInChI=1S/C12H16FNO3/c1-8(15)5-6-14-12(16)9-3-4-10(13)11(7-9)17-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyGMDJWFJGCJFTCJ-UHFFFAOYSA-N
MW241.26 g/mol
LogP1.34
Rot. Bonds5

About 4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide

4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide (PubChem CID 81002545) has the molecular formula C12H16FNO3 and a molecular weight of 241.26 g/mol. Its IUPAC name is 4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
PubChem CID81002545
Molecular FormulaC12H16FNO3
Molecular Weight241.26 g/mol
Exact Mass241.11
IUPAC Name4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
SMILESCOc1cc(C(=O)NCCC(C)O)ccc1F
InChIInChI=1S/C12H16FNO3/c1-8(15)5-6-14-12(16)9-3-4-10(13)11(7-9)17-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)
InChIKeyGMDJWFJGCJFTCJ-UHFFFAOYSA-N
XLogP1.34
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide
CID 81284787
N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide
CID 81284858
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]-3-methoxybenzamide
CID 81284195
4-fluoro-3-methoxy-N-(2-sulfamoylethyl)benzamide
CID 81049854
N-(4-aminobutan-2-yl)-4-fluoro-3-methoxybenzamide
CID 81283356
6-[(4-fluoro-3-methoxybenzoyl)amino]hexanoic acid
CID 81283430
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883
4-fluoro-N-[(2R)-1-hydroxypropan-2-yl]-3-methoxybenzamide
CID 81284566
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629
methyl 2-bromo-3-[(4-fluoro-3-methoxybenzoyl)amino]propanoate
CID 103492375
3-[(4-fluoro-3-methoxybenzoyl)amino]-2-methoxypropanoic acid
CID 106108177
N-[3-(2-chloroethoxy)propyl]-4-fluoro-3-methoxybenzamide
CID 106306521

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide?
The IUPAC name of 4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide (CID 81002545) is 4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide.
What is the SMILES notation for 4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide?
The canonical SMILES for 4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide is COc1cc(C(=O)NCCC(C)O)ccc1F.
What is the InChIKey of 4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide?
The InChIKey is GMDJWFJGCJFTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO3/c1-8(15)5-6-14-12(16)9-3-4-10(13)11(7-9)17-2/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide?
4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide has a molecular weight of 241.26 g/mol, XLogP of 1.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide is sourced from PubChem (CID 81002545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).