5-butyl-2-fluoro-N-methylbenzamide

C12H16FNO — CID 147314196

IUPAC5-butyl-2-fluoro-N-methylbenzamide
SMILESCCCCc1ccc(F)c(C(=O)NC)c1
InChIInChI=1S/C12H16FNO/c1-3-4-5-9-6-7-11(13)10(8-9)12(15)14-2/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyCYNVHGBAINTACL-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.53
Rot. Bonds4

About 5-butyl-2-fluoro-N-methylbenzamide

5-butyl-2-fluoro-N-methylbenzamide (PubChem CID 147314196) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is 5-butyl-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-butyl-2-fluoro-N-methylbenzamide
PubChem CID147314196
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name5-butyl-2-fluoro-N-methylbenzamide
SMILESCCCCc1ccc(F)c(C(=O)NC)c1
InChIInChI=1S/C12H16FNO/c1-3-4-5-9-6-7-11(13)10(8-9)12(15)14-2/h6-8H,3-5H2,1-2H3,(H,14,15)
InChIKeyCYNVHGBAINTACL-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-4-nonylbenzoic acid
CID 57292315
5-butyl-2-fluorobenzaldehyde
CID 106659110
2-fluoro-5-formyl-N-methylbenzamide
CID 131591850
N-(4-butylphenyl)-2,4-difluorobenzamide
CID 8961049
5-[[4-[2-(4-butylphenyl)ethynyl]phenyl]methylamino]-2-fluorobenzoic acid
CID 67171770
2,6-dibutyl-4-fluoro-N-methylbenzamide
CID 102267113
N-(4-butylphenyl)-4-fluoro-3-sulfanylbenzamide
CID 107022704
2-fluoro-5-[(4-fluorophenyl)methylcarbamoylamino]-N-methylbenzamide
CID 49285412
4-bromo-N-(4-butylphenyl)-2-fluorobenzamide
CID 43216193
5-chloro-2-fluoro-N-octylbenzamide
CID 113337139
2,5-difluoro-N-undecylbenzamide
CID 91717430
5-hexyl-2-(methylamino)benzoic acid
CID 142177835

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-butyl-2-fluoro-N-methylbenzamide (CID 147314196) is 5-butyl-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-butyl-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-butyl-2-fluoro-N-methylbenzamide is CCCCc1ccc(F)c(C(=O)NC)c1.
What is the InChIKey of 5-butyl-2-fluoro-N-methylbenzamide?
The InChIKey is CYNVHGBAINTACL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-3-4-5-9-6-7-11(13)10(8-9)12(15)14-2/h6-8H,3-5H2,1-2H3,(H,14,15).
What are the key properties of 5-butyl-2-fluoro-N-methylbenzamide?
5-butyl-2-fluoro-N-methylbenzamide has a molecular weight of 209.26 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 147314196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).