N-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide

C14H18FNO2 — CID 103855610

IUPACN-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide
SMILESC=CCCOCCNC(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C14H18FNO2/c1-3-4-8-18-9-7-16-14(17)12-5-6-13(15)11(2)10-12/h3,5-6,10H,1,4,7-9H2,2H3,(H,16,17)
InChIKeyRUJHWBLIKSIPNC-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.46
Rot. Bonds7

About N-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide

N-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide (PubChem CID 103855610) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is N-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide
PubChem CID103855610
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC NameN-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide
SMILESC=CCCOCCNC(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C14H18FNO2/c1-3-4-8-18-9-7-16-14(17)12-5-6-13(15)11(2)10-12/h3,5-6,10H,1,4,7-9H2,2H3,(H,16,17)
InChIKeyRUJHWBLIKSIPNC-UHFFFAOYSA-N
XLogP2.46
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

N-(2-but-3-enoxyethyl)-3-hydroxy-4-methoxybenzamide
CID 103857015
4-(2-but-3-enoxyethylcarbamoyl)-3-fluorobenzoic acid
CID 120695948
N-(2-but-3-enoxyethyl)-6-fluoropyridine-3-carboxamide
CID 103855656
4-fluoro-N-[2-(2-methoxyethylamino)-2-oxoethyl]-3-methylbenzamide
CID 112689546
N-(2-but-3-enoxyethyl)-3-chloro-4-iodobenzamide
CID 113339522
5-bromo-N-(2-but-3-enoxyethyl)-2-methylbenzamide
CID 103855682
N-[2-(2-bromoethoxy)ethyl]-3-fluoro-4-methylbenzamide
CID 114309408
N-[2-(carbamoylamino)ethyl]-4-fluoro-3-methylbenzamide
CID 78995301
N-(3-aminopropyl)-4-fluoro-3-methylbenzamide
CID 63208781
2-bromo-N-(2-but-3-enoxyethyl)pyridine-4-carboxamide
CID 103855736
4-fluoro-3-methyl-N-(3-methylbutyl)benzamide
CID 63212522
N-(3,3-dimethylbutyl)-4-fluoro-3-methylbenzamide
CID 115611491

Frequently Asked Questions

What is the IUPAC name of N-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide?
The IUPAC name of N-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide (CID 103855610) is N-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide?
The canonical SMILES for N-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide is C=CCCOCCNC(=O)c1ccc(F)c(C)c1.
What is the InChIKey of N-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide?
The InChIKey is RUJHWBLIKSIPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-3-4-8-18-9-7-16-14(17)12-5-6-13(15)11(2)10-12/h3,5-6,10H,1,4,7-9H2,2H3,(H,16,17).
What are the key properties of N-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide?
N-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide has a molecular weight of 251.30 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-but-3-enoxyethyl)-4-fluoro-3-methylbenzamide is sourced from PubChem (CID 103855610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).