4-fluoro-N-hexan-2-ylbenzamide

C13H18FNO — CID 62199480

IUPAC4-fluoro-N-hexan-2-ylbenzamide
SMILESCCCCC(C)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-3-4-5-10(2)15-13(16)11-6-8-12(14)9-7-11/h6-10H,3-5H2,1-2H3,(H,15,16)
InChIKeyHMJIDZWDIDLZCI-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.13
Rot. Bonds5

About 4-fluoro-N-hexan-2-ylbenzamide

4-fluoro-N-hexan-2-ylbenzamide (PubChem CID 62199480) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-fluoro-N-hexan-2-ylbenzamide.

Molecular Properties

Compound Name4-fluoro-N-hexan-2-ylbenzamide
PubChem CID62199480
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-fluoro-N-hexan-2-ylbenzamide
SMILESCCCCC(C)NC(=O)c1ccc(F)cc1
InChIInChI=1S/C13H18FNO/c1-3-4-5-10(2)15-13(16)11-6-8-12(14)9-7-11/h6-10H,3-5H2,1-2H3,(H,15,16)
InChIKeyHMJIDZWDIDLZCI-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(4-fluorophenyl)sulfonylamino]-N-heptan-2-ylbenzamide
CID 43019430
3-[(4-fluorobenzoyl)amino]butanoic acid
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4-fluoro-N-[(1R)-1-phenylpentyl]benzamide
CID 2201408
4-bromo-N-heptan-2-ylbenzamide
CID 3735409
N-octan-2-yl-4-sulfanylbenzamide
CID 107025266
N-octan-2-yl-4-(propylamino)benzamide
CID 63500795
4-fluoro-N-hexan-2-yl-2-hydroxybenzamide
CID 107015212
4-fluoro-N-(4-oxobutan-2-yl)benzamide
CID 58870084
4-(aminomethyl)-N-heptan-2-ylbenzamide
CID 43575776
4-fluoro-N-pent-4-en-2-ylbenzamide
CID 115631330
4-(4-fluorophenoxy)-N-[(2R)-5-methylhexan-2-yl]benzamide
CID 25440540
4-fluoro-N-[4-(2-fluorophenyl)butan-2-yl]benzamide
CID 166317910

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-hexan-2-ylbenzamide?
The IUPAC name of 4-fluoro-N-hexan-2-ylbenzamide (CID 62199480) is 4-fluoro-N-hexan-2-ylbenzamide.
What is the SMILES notation for 4-fluoro-N-hexan-2-ylbenzamide?
The canonical SMILES for 4-fluoro-N-hexan-2-ylbenzamide is CCCCC(C)NC(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-hexan-2-ylbenzamide?
The InChIKey is HMJIDZWDIDLZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-3-4-5-10(2)15-13(16)11-6-8-12(14)9-7-11/h6-10H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 4-fluoro-N-hexan-2-ylbenzamide?
4-fluoro-N-hexan-2-ylbenzamide has a molecular weight of 223.29 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-hexan-2-ylbenzamide is sourced from PubChem (CID 62199480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).