4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide

C14H20FNO — CID 63212442

IUPAC4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(C)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C14H20FNO/c1-5-12(6-2)16(4)14(17)11-7-8-13(15)10(3)9-11/h7-9,12H,5-6H2,1-4H3
InChIKeyRDZFTFLVFNPJHR-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.39
Rot. Bonds4

About 4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide

4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide (PubChem CID 63212442) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide
PubChem CID63212442
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide
SMILESCCC(CC)N(C)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C14H20FNO/c1-5-12(6-2)16(4)14(17)11-7-8-13(15)10(3)9-11/h7-9,12H,5-6H2,1-4H3
InChIKeyRDZFTFLVFNPJHR-UHFFFAOYSA-N
XLogP3.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-hydroxy-N,3-dimethyl-N-pentan-3-ylbenzamide
CID 103956399
N-(1-chloropropan-2-yl)-4-fluoro-N,3-dimethylbenzamide
CID 104555665
3-hydroxy-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43571474
3-amino-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 43570555
3-bromo-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 79466930
4-fluoro-N-(2-methoxyethyl)-3-methyl-N-pentan-3-ylbenzamide
CID 63213062
4-fluoro-N,3-dimethyl-N-(3-methyl-1-pyrrolidin-1-ylpentan-2-yl)benzamide
CID 77352384
4-fluoro-3-methyl-N,N-dipropylbenzamide
CID 63212171
3-amino-5-fluoro-N,4-dimethyl-N-pentan-3-ylbenzamide
CID 60861699
N-(2-bromoethyl)-3-fluoro-4-methyl-N-pentan-3-ylbenzamide
CID 80670865
N-(3-aminopropyl)-4-fluoro-N,3-dimethylbenzamide
CID 63209165
N-[2-(ethylamino)-2-oxoethyl]-4-fluoro-N,3-dimethylbenzamide
CID 55218765

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide?
The IUPAC name of 4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide (CID 63212442) is 4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide.
What is the SMILES notation for 4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide?
The canonical SMILES for 4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide is CCC(CC)N(C)C(=O)c1ccc(F)c(C)c1.
What is the InChIKey of 4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide?
The InChIKey is RDZFTFLVFNPJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-5-12(6-2)16(4)14(17)11-7-8-13(15)10(3)9-11/h7-9,12H,5-6H2,1-4H3.
What are the key properties of 4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide?
4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide has a molecular weight of 237.32 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,3-dimethyl-N-pentan-3-ylbenzamide is sourced from PubChem (CID 63212442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).