2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide

C14H20FNO2 — CID 82941071

IUPAC2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide
SMILESCCCOCCCNC(=O)c1ccc(C)cc1F
InChIInChI=1S/C14H20FNO2/c1-3-8-18-9-4-7-16-14(17)12-6-5-11(2)10-13(12)15/h5-6,10H,3-4,7-9H2,1-2H3,(H,16,17)
InChIKeyPUDXAYOTMLCZKR-UHFFFAOYSA-N
MW253.32 g/mol
LogP2.68
Rot. Bonds7

About 2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide

2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide (PubChem CID 82941071) has the molecular formula C14H20FNO2 and a molecular weight of 253.32 g/mol. Its IUPAC name is 2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide.

Molecular Properties

Compound Name2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide
PubChem CID82941071
Molecular FormulaC14H20FNO2
Molecular Weight253.32 g/mol
Exact Mass253.15
IUPAC Name2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide
SMILESCCCOCCCNC(=O)c1ccc(C)cc1F
InChIInChI=1S/C14H20FNO2/c1-3-8-18-9-4-7-16-14(17)12-6-5-11(2)10-13(12)15/h5-6,10H,3-4,7-9H2,1-2H3,(H,16,17)
InChIKeyPUDXAYOTMLCZKR-UHFFFAOYSA-N
XLogP2.68
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-methyl-N-pentylbenzamide
CID 79770349
2-amino-N-(3-butoxypropyl)-5-methylbenzamide
CID 110485990
2-fluoro-4-methyl-N-[3-(oxolan-2-ylmethoxy)propyl]benzamide
CID 79791073
2-[(2-fluoro-4-methylbenzoyl)amino]ethyl carbamate
CID 83210328
2-fluoro-N-(5-iodopentyl)-4-methylbenzamide
CID 107322226
N-(5-chloropentyl)-2-fluoro-4-methylbenzamide
CID 107320953
4-bromo-N-(3-ethoxypropyl)-2-fluorobenzamide
CID 24691532
2-fluoro-4-methyl-N-(5-methylhexyl)benzamide
CID 79790982
2,4-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]benzamide
CID 86929041
2,4-dibromo-N-(3-propoxypropyl)benzamide
CID 114020100
5-amino-2-methoxy-N-(3-propoxypropyl)benzamide
CID 82949458
2-fluoro-4-hydroxy-N-[4-(2-methoxyethoxy)butyl]benzamide
CID 104929735

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide?
The IUPAC name of 2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide (CID 82941071) is 2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide.
What is the SMILES notation for 2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide?
The canonical SMILES for 2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide is CCCOCCCNC(=O)c1ccc(C)cc1F.
What is the InChIKey of 2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide?
The InChIKey is PUDXAYOTMLCZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO2/c1-3-8-18-9-4-7-16-14(17)12-6-5-11(2)10-13(12)15/h5-6,10H,3-4,7-9H2,1-2H3,(H,16,17).
What are the key properties of 2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide?
2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide has a molecular weight of 253.32 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-methyl-N-(3-propoxypropyl)benzamide is sourced from PubChem (CID 82941071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).