3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide

C16H25FN2O — CID 106027972

IUPAC3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1cccc(F)c1NC
InChIInChI=1S/C16H25FN2O/c1-4-6-9-12(8-5-2)19-16(20)13-10-7-11-14(17)15(13)18-3/h7,10-12,18H,4-6,8-9H2,1-3H3,(H,19,20)
InChIKeyOBKJQRUJLZFNLK-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.96
Rot. Bonds8

About 3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide

3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide (PubChem CID 106027972) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide.

Molecular Properties

Compound Name3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide
PubChem CID106027972
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide
SMILESCCCCC(CCC)NC(=O)c1cccc(F)c1NC
InChIInChI=1S/C16H25FN2O/c1-4-6-9-12(8-5-2)19-16(20)13-10-7-11-14(17)15(13)18-3/h7,10-12,18H,4-6,8-9H2,1-3H3,(H,19,20)
InChIKeyOBKJQRUJLZFNLK-UHFFFAOYSA-N
XLogP3.96
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-(methylamino)-N-pentan-2-ylbenzamide
CID 55101629
2-amino-3-fluoro-N-octan-4-ylbenzamide
CID 106025768
3,5-difluoro-4-(methylamino)-N-octan-4-ylbenzamide
CID 106027843
2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide
CID 62662293
N-octan-4-yl-2-(propan-2-ylamino)benzamide
CID 106027367
N-octan-4-yl-1H-indole-7-carboxamide
CID 106025020
N-(dicyclopropylmethyl)-3-fluoro-2-(methylamino)benzamide
CID 62662473
3-fluoro-2-(methylamino)-N-(1-methylsulfonylpropan-2-yl)benzamide
CID 64641542
5-methyl-2-(methylamino)-N-octan-4-ylbenzamide
CID 106027859
3-fluoro-2-(methylamino)-N-(2-methylbutyl)benzamide
CID 62692727
5-(methylamino)-N-octan-4-ylpyridine-2-carboxamide
CID 106027811

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide?
The IUPAC name of 3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide (CID 106027972) is 3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide.
What is the SMILES notation for 3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide?
The canonical SMILES for 3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide is CCCCC(CCC)NC(=O)c1cccc(F)c1NC.
What is the InChIKey of 3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide?
The InChIKey is OBKJQRUJLZFNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-6-9-12(8-5-2)19-16(20)13-10-7-11-14(17)15(13)18-3/h7,10-12,18H,4-6,8-9H2,1-3H3,(H,19,20).
What are the key properties of 3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide?
3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide has a molecular weight of 280.39 g/mol, XLogP of 3.96, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(methylamino)-N-octan-4-ylbenzamide is sourced from PubChem (CID 106027972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).