4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide

C14H20FNO — CID 112702416

IUPAC4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide
SMILESCc1cc(F)ccc1C(=O)N(C)CCC(C)C
InChIInChI=1S/C14H20FNO/c1-10(2)7-8-16(4)14(17)13-6-5-12(15)9-11(13)3/h5-6,9-10H,7-8H2,1-4H3
InChIKeyBXZLSBRPZBQIKP-UHFFFAOYSA-N
MW237.32 g/mol
LogP3.25
Rot. Bonds4

About 4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide

4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide (PubChem CID 112702416) has the molecular formula C14H20FNO and a molecular weight of 237.32 g/mol. Its IUPAC name is 4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide.

Molecular Properties

Compound Name4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide
PubChem CID112702416
Molecular FormulaC14H20FNO
Molecular Weight237.32 g/mol
Exact Mass237.15
IUPAC Name4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide
SMILESCc1cc(F)ccc1C(=O)N(C)CCC(C)C
InChIInChI=1S/C14H20FNO/c1-10(2)7-8-16(4)14(17)13-6-5-12(15)9-11(13)3/h5-6,9-10H,7-8H2,1-4H3
InChIKeyBXZLSBRPZBQIKP-UHFFFAOYSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-fluoro-2-methyl-N,N-bis(2-methylpropyl)benzamide
CID 112702512
4-fluoro-N-(5-hydroxypentyl)-N,2-dimethylbenzamide
CID 107199071
4-fluoro-N,2-dimethyl-N-[3-(methylamino)-3-oxopropyl]benzamide
CID 103820438
4-fluoro-N,N,2-trimethylbenzamide
CID 115745346
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N,2-dimethylbenzamide
CID 115746037
N-(cyclobutylmethyl)-4-fluoro-N,2-dimethylbenzamide
CID 115745878
4-hydroxy-N-(3-hydroxybutyl)-N,2-dimethylbenzamide
CID 113341456
4-fluoro-N-[(3-fluorophenyl)methyl]-N,2-dimethylbenzamide
CID 115745141
5-fluoro-N-(2-hydroxyethyl)-N,2-dimethylbenzamide
CID 60706402
4-fluoro-N,2-dimethyl-N-(pyridin-4-ylmethyl)benzamide
CID 112702339
4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide
CID 115745848
4-fluoro-3-methyl-5-[methyl(3-methylbutyl)carbamoyl]benzenesulfonyl chloride
CID 81481655

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide?
The IUPAC name of 4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide (CID 112702416) is 4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide.
What is the SMILES notation for 4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide?
The canonical SMILES for 4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide is Cc1cc(F)ccc1C(=O)N(C)CCC(C)C.
What is the InChIKey of 4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide?
The InChIKey is BXZLSBRPZBQIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO/c1-10(2)7-8-16(4)14(17)13-6-5-12(15)9-11(13)3/h5-6,9-10H,7-8H2,1-4H3.
What are the key properties of 4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide?
4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide has a molecular weight of 237.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N,2-dimethyl-N-(3-methylbutyl)benzamide is sourced from PubChem (CID 112702416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).