4-fluoro-N-methyl-N-pent-4-enylbenzamide

C13H16FNO — CID 115640348

IUPAC4-fluoro-N-methyl-N-pent-4-enylbenzamide
SMILESC=CCCCN(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO/c1-3-4-5-10-15(2)13(16)11-6-8-12(14)9-7-11/h3,6-9H,1,4-5,10H2,2H3
InChIKeyXCRFAKPYYYQGPX-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.86
Rot. Bonds5

About 4-fluoro-N-methyl-N-pent-4-enylbenzamide

4-fluoro-N-methyl-N-pent-4-enylbenzamide (PubChem CID 115640348) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-pent-4-enylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-pent-4-enylbenzamide
PubChem CID115640348
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name4-fluoro-N-methyl-N-pent-4-enylbenzamide
SMILESC=CCCCN(C)C(=O)c1ccc(F)cc1
InChIInChI=1S/C13H16FNO/c1-3-4-5-10-15(2)13(16)11-6-8-12(14)9-7-11/h3,6-9H,1,4-5,10H2,2H3
InChIKeyXCRFAKPYYYQGPX-UHFFFAOYSA-N
XLogP2.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.86
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'}

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Related Compounds

4-(aminomethyl)-N-methyl-N-pent-4-enylbenzamide
CID 115734604
4-fluoro-N-methyl-N-propylbenzamide
CID 60928889
3,5-dibromo-N-methyl-N-pent-4-enylbenzamide
CID 103908739
5-chloro-2-fluoro-N-methyl-N-pent-4-enylbenzamide
CID 115640332
2,3-difluoro-N-methyl-N-pent-4-enylpyridine-4-carboxamide
CID 105381622
4-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzamide
CID 115968413
3-ethyl-2-[2-(4-fluorophenyl)ethyl]-1-methyl-1-pent-4-enylguanidine
CID 109497096
1-(4-fluorophenyl)oct-7-en-1-one
CID 58518883
1-(4-fluorophenyl)oct-7-en-1-one
CID 76810289
2,5-difluoro-N-methyl-3-nitro-N-pent-4-enylbenzamide
CID 107122329
2-hydroxy-3-methoxy-N-methyl-N-pent-4-enylbenzamide
CID 113239185
N-(3-amino-4-methylpentyl)-4-fluoro-N-methylbenzamide
CID 81484690

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-pent-4-enylbenzamide?
The IUPAC name of 4-fluoro-N-methyl-N-pent-4-enylbenzamide (CID 115640348) is 4-fluoro-N-methyl-N-pent-4-enylbenzamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-pent-4-enylbenzamide?
The canonical SMILES for 4-fluoro-N-methyl-N-pent-4-enylbenzamide is C=CCCCN(C)C(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-pent-4-enylbenzamide?
The InChIKey is XCRFAKPYYYQGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-3-4-5-10-15(2)13(16)11-6-8-12(14)9-7-11/h3,6-9H,1,4-5,10H2,2H3.
What are the key properties of 4-fluoro-N-methyl-N-pent-4-enylbenzamide?
4-fluoro-N-methyl-N-pent-4-enylbenzamide has a molecular weight of 221.28 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-pent-4-enylbenzamide is sourced from PubChem (CID 115640348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).