5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide

C13H15ClFNO — CID 115640332

IUPAC5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide
SMILESC=CCCCN(C)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H15ClFNO/c1-3-4-5-8-16(2)13(17)11-9-10(14)6-7-12(11)15/h3,6-7,9H,1,4-5,8H2,2H3
InChIKeyFIAXCASTETUPFU-UHFFFAOYSA-N
MW255.72 g/mol
LogP3.52
Rot. Bonds5

About 5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide

5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide (PubChem CID 115640332) has the molecular formula C13H15ClFNO and a molecular weight of 255.72 g/mol. Its IUPAC name is 5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide.

Molecular Properties

Compound Name5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide
PubChem CID115640332
Molecular FormulaC13H15ClFNO
Molecular Weight255.72 g/mol
Exact Mass255.08
IUPAC Name5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide
SMILESC=CCCCN(C)C(=O)c1cc(Cl)ccc1F
InChIInChI=1S/C13H15ClFNO/c1-3-4-5-8-16(2)13(17)11-9-10(14)6-7-12(11)15/h3,6-7,9H,1,4-5,8H2,2H3
InChIKeyFIAXCASTETUPFU-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.72
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide 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-chloro-2-fluoro-N-methyl-N-(3-oxobutyl)benzamide
CID 117044877
2,3-difluoro-N-methyl-N-pent-4-enylpyridine-4-carboxamide
CID 105381622
4-fluoro-N-methyl-N-pent-4-enylbenzamide
CID 115640348
2-chloro-N-methyl-4-nitro-N-pent-4-enylbenzamide
CID 115640319
2-bromo-N,5-dimethyl-N-pent-4-enylbenzamide
CID 115702280
N-(2-aminopropyl)-5-chloro-2-fluoro-N-methylbenzamide
CID 117044863
2,5-difluoro-N-methyl-3-nitro-N-pent-4-enylbenzamide
CID 107122329
N-(2-aminoethyl)-4-chloro-2-fluoro-N-methylbenzamide
CID 62686056
5-amino-N-butyl-2-fluoro-N-methylbenzamide
CID 43510775
5-bromo-N-[3-(dimethylamino)propyl]-2-fluoro-N-methylbenzamide
CID 63693697
N,2-dimethyl-N-pent-4-enyl-5-sulfamoylbenzamide
CID 115640375
2,5-dichloro-N-[2-(dimethylamino)ethyl]-N-methylbenzamide
CID 110484021

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide?
The IUPAC name of 5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide (CID 115640332) is 5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide.
What is the SMILES notation for 5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide?
The canonical SMILES for 5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide is C=CCCCN(C)C(=O)c1cc(Cl)ccc1F.
What is the InChIKey of 5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide?
The InChIKey is FIAXCASTETUPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO/c1-3-4-5-8-16(2)13(17)11-9-10(14)6-7-12(11)15/h3,6-7,9H,1,4-5,8H2,2H3.
What are the key properties of 5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide?
5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide has a molecular weight of 255.72 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide is sourced from PubChem (CID 115640332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).