3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide

C16H25FN2O — CID 62649253

IUPAC3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide
SMILESCCCCCN(C)C(=O)c1cccc(F)c1NCCC
InChIInChI=1S/C16H25FN2O/c1-4-6-7-12-19(3)16(20)13-9-8-10-14(17)15(13)18-11-5-2/h8-10,18H,4-7,11-12H2,1-3H3
InChIKeyUUSZKMVUPOJURH-UHFFFAOYSA-N
MW280.39 g/mol
LogP3.91
Rot. Bonds8

About 3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide

3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide (PubChem CID 62649253) has the molecular formula C16H25FN2O and a molecular weight of 280.39 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide
PubChem CID62649253
Molecular FormulaC16H25FN2O
Molecular Weight280.39 g/mol
Exact Mass280.20
IUPAC Name3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide
SMILESCCCCCN(C)C(=O)c1cccc(F)c1NCCC
InChIInChI=1S/C16H25FN2O/c1-4-6-7-12-19(3)16(20)13-9-8-10-14(17)15(13)18-11-5-2/h8-10,18H,4-7,11-12H2,1-3H3
InChIKeyUUSZKMVUPOJURH-UHFFFAOYSA-N
XLogP3.91
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(ethylamino)-3-fluoro-N-methyl-N-pentylbenzamide
CID 62649252
N-[2-(dimethylamino)propyl]-3-fluoro-2-(propylamino)benzamide
CID 62660881
N-(2-cyanoethyl)-N-ethyl-3-fluoro-2-(propylamino)benzamide
CID 62660882
2,3-difluoro-N-methyl-N-propylbenzamide
CID 62649186
N-[2-(carbamoylamino)ethyl]-3-fluoro-2-(propylamino)benzamide
CID 83115693
N-[4-(dimethylamino)butan-2-yl]-3-fluoro-2-(propylamino)benzamide
CID 62660721
N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide
CID 63694509
N-ethyl-3-fluoro-N-methyl-2-(methylamino)benzamide
CID 62648777
N-(2,2-dimethylbutyl)-3-fluoro-2-(propylamino)benzamide
CID 103464511
N-butyl-N-methyl-2-(propylamino)pyridine-3-carboxamide
CID 62186071
(3,4-dihydroxypyrrolidin-1-yl)-[3-fluoro-2-(propylamino)phenyl]methanone
CID 106673755
2,6-difluoro-N-propylaniline
CID 21161523

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide?
The IUPAC name of 3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide (CID 62649253) is 3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide?
The canonical SMILES for 3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide is CCCCCN(C)C(=O)c1cccc(F)c1NCCC.
What is the InChIKey of 3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide?
The InChIKey is UUSZKMVUPOJURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2O/c1-4-6-7-12-19(3)16(20)13-9-8-10-14(17)15(13)18-11-5-2/h8-10,18H,4-7,11-12H2,1-3H3.
What are the key properties of 3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide?
3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide has a molecular weight of 280.39 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-pentyl-2-(propylamino)benzamide is sourced from PubChem (CID 62649253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).