N-butyl-2-(1-fluoroethyl)benzamide

C13H18FNO — CID 170393539

IUPACN-butyl-2-(1-fluoroethyl)benzamide
SMILESCCCCNC(=O)c1ccccc1C(C)F
InChIInChI=1S/C13H18FNO/c1-3-4-9-15-13(16)12-8-6-5-7-11(12)10(2)14/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyFJIWTGQTVUBQTE-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.25
Rot. Bonds5

About N-butyl-2-(1-fluoroethyl)benzamide

N-butyl-2-(1-fluoroethyl)benzamide (PubChem CID 170393539) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is N-butyl-2-(1-fluoroethyl)benzamide.

Molecular Properties

Compound NameN-butyl-2-(1-fluoroethyl)benzamide
PubChem CID170393539
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC NameN-butyl-2-(1-fluoroethyl)benzamide
SMILESCCCCNC(=O)c1ccccc1C(C)F
InChIInChI=1S/C13H18FNO/c1-3-4-9-15-13(16)12-8-6-5-7-11(12)10(2)14/h5-8,10H,3-4,9H2,1-2H3,(H,15,16)
InChIKeyFJIWTGQTVUBQTE-UHFFFAOYSA-N
XLogP3.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-N-butyl-2-N-phenylbenzene-1,2-dicarboxamide
CID 13492483
N-butyl-2-methylsulfanylbenzamide
CID 59510338
2-hydroxy-N-pentyl-3-propan-2-ylbenzamide
CID 70943726
N-butyl-2-phenylbenzamide
CID 21064565
N-butyl-2-(propan-2-ylcarbamoylamino)benzamide
CID 46585555
2,3-difluoro-N-pentylbenzamide
CID 62649821
3-bromo-N-butyl-2-fluorobenzamide
CID 106544046
2-(octacosylcarbamoyl)benzoic acid
CID 175036056
N-hexyl-2-methylbenzamide
CID 3017102
2-(pentylcarbamoyl)benzoate
CID 7429981
2-chloro-N-undecylbenzamide
CID 3373978
2-(nonylcarbamoyl)benzoic acid
CID 177437719

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(1-fluoroethyl)benzamide?
The IUPAC name of N-butyl-2-(1-fluoroethyl)benzamide (CID 170393539) is N-butyl-2-(1-fluoroethyl)benzamide.
What is the SMILES notation for N-butyl-2-(1-fluoroethyl)benzamide?
The canonical SMILES for N-butyl-2-(1-fluoroethyl)benzamide is CCCCNC(=O)c1ccccc1C(C)F.
What is the InChIKey of N-butyl-2-(1-fluoroethyl)benzamide?
The InChIKey is FJIWTGQTVUBQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-4-9-15-13(16)12-8-6-5-7-11(12)10(2)14/h5-8,10H,3-4,9H2,1-2H3,(H,15,16).
What are the key properties of N-butyl-2-(1-fluoroethyl)benzamide?
N-butyl-2-(1-fluoroethyl)benzamide has a molecular weight of 223.29 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(1-fluoroethyl)benzamide is sourced from PubChem (CID 170393539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).