2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide

C16H25FN2O — CID 62662293

IUPAC2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide
SMILESCCCCCC(C)NC(=O)c1cccc(F)c1NCC
InChIInChI=1S/C16H25FN2O/c1-4-6-7-9-12(3)19-16(20)13-10-8-11-14(17)15(13)18-5-2/h8,10-12,18H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyRUEIRXUKDGYIFV-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.96
Rot. Bonds8

About 2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide

2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide (PubChem CID 62662293) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide.

Molecular Properties

Compound Name2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide
PubChem CID62662293
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide
SMILESCCCCCC(C)NC(=O)c1cccc(F)c1NCC
InChIInChI=1S/C16H25FN2O/c1-4-6-7-9-12(3)19-16(20)13-10-8-11-14(17)15(13)18-5-2/h8,10-12,18H,4-7,9H2,1-3H3,(H,19,20)
InChIKeyRUEIRXUKDGYIFV-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

Computed Properties (RDKit)

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

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Related Compounds

2,3-difluoro-N-hexan-2-ylbenzamide
CID 55099872
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CID 55101629
2-(ethylamino)-3-fluoro-N-(1-thiophen-2-ylpropan-2-yl)benzamide
CID 63295814
N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide
CID 62660721
N-ethyl-2-(ethylamino)-3-fluorobenzamide
CID 62648907
N-(dicyclopropylmethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62662474
N-[1-(dimethylamino)propan-2-yl]-3-fluoro-2-(propylamino)benzamide
CID 82950249
2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide
CID 62649252
2-chloro-6-fluoro-N-heptan-2-ylbenzamide
CID 78789535
N-(2-butoxyethyl)-2-(ethylamino)-3-fluorobenzamide
CID 62660550
2,6-difluoro-N-heptan-2-ylaniline
CID 43123890

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide?
The IUPAC name of 2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide (CID 62662293) is 2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide.
What is the SMILES notation for 2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide?
The canonical SMILES for 2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide is CCCCCC(C)NC(=O)c1cccc(F)c1NCC.
What is the InChIKey of 2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide?
The InChIKey is RUEIRXUKDGYIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-6-7-9-12(3)19-16(20)13-10-8-11-14(17)15(13)18-5-2/h8,10-12,18H,4-7,9H2,1-3H3,(H,19,20).
What are the key properties of 2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide?
2-(ethylamino)-3-fluoro-N-heptan-2-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 2-(ethylamino)-3-fluoro-N-heptan-2-ylbenzamide is sourced from PubChem (CID 62662293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).