4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide

C14H20FNO2 — CID 107199071

IUPAC4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
SMILESCc1cc(F)ccc1C(=O)N(C)CCCCCO
InChIInChI=1S/C14H20FNO2/c1-11-10-12(15)6-7-13(11)14(18)16(2)8-4-3-5-9-17/h6-7,10,17H,3-5,8-9H2,1-2H3
InChIKeyMBBVKTJXGUBOTA-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.37
Rot. Bonds6

About 4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide

4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide (PubChem CID 107199071) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
PubChem CID107199071
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
SMILESCc1cc(F)ccc1C(=O)N(C)CCCCCO
InChIInChI=1S/C14H20FNO2/c1-11-10-12(15)6-7-13(11)14(18)16(2)8-4-3-5-9-17/h6-7,10,17H,3-5,8-9H2,1-2H3
InChIKeyMBBVKTJXGUBOTA-UHFFFAOYSA-N
XLogP2.37
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-fluoro-2-hydroxy-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107200248
4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide
CID 112702416
5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 60706402
4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103820438
5-bromo-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199883
5-amino-2-fluoro-N-(5-hydroxypentyl)-N,3-dimethylbenzamide
CID 107197446
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide
CID 115746037
4-fluoro-N-(4-hydroxybutyl)-2-methylbenzamide
CID 106841516
5-amino-2-fluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107197368
2,4,6-trifluoro-N-(5-hydroxypentyl)-N-methylbenzamide
CID 107202076
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide?
The IUPAC name of 4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide (CID 107199071) is 4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide.
What is the SMILES notation for 4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide?
The canonical SMILES for 4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide is Cc1cc(F)ccc1C(=O)N(C)CCCCCO.
What is the InChIKey of 4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide?
The InChIKey is MBBVKTJXGUBOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-11-10-12(15)6-7-13(11)14(18)16(2)8-4-3-5-9-17/h6-7,10,17H,3-5,8-9H2,1-2H3.
What are the key properties of 4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide?
4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide has a molecular weight of 253.32 g/mol, XLogP of 2.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide is sourced from PubChem (CID 107199071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).