4-fluoro-3-(spiro[4.5]decan-8-ylamino)benzamide

C17H23FN2O — CID 114817334

IUPAC4-fluoro-3-(spiro[4.5]decan-8-ylamino)benzamide
SMILESNC(=O)c1ccc(F)c(NC2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C17H23FN2O/c18-14-4-3-12(16(19)21)11-15(14)20-13-5-9-17(10-6-13)7-1-2-8-17/h3-4,11,13,20H,1-2,5-10H2,(H2,19,21)
InChIKeyJDSJXBJDUYJQEE-UHFFFAOYSA-N
MW290.38 g/mol
LogP3.84
Rot. Bonds3

About 4-fluoro-3-(spiro[4.5]decan-8-ylamino)benzamide

4-fluoro-3-(spiro[4.5]decan-8-ylamino)benzamide (PubChem CID 114817334) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 4-fluoro-3-(spiro[4.5]decan-8-ylamino)benzamide.

Molecular Properties

Compound Name4-fluoro-3-(spiro[4.5]decan-8-ylamino)benzamide
PubChem CID114817334
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name4-fluoro-3-(spiro[4.5]decan-8-ylamino)benzamide
SMILESNC(=O)c1ccc(F)c(NC2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C17H23FN2O/c18-14-4-3-12(16(19)21)11-15(14)20-13-5-9-17(10-6-13)7-1-2-8-17/h3-4,11,13,20H,1-2,5-10H2,(H2,19,21)
InChIKeyJDSJXBJDUYJQEE-UHFFFAOYSA-N
XLogP3.84
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-fluoro-3-(thiolan-3-ylamino)benzamide
CID 43700954
4-fluoro-3-[(1-methylpyrrolidin-3-yl)amino]benzamide
CID 62975237
3-[(1-aminocyclohexanecarbonyl)amino]-4-fluorobenzamide
CID 43706072
4-amino-3-(cyclopropylamino)benzamide
CID 63355783
3-[[2-(cyclopropylamino)acetyl]amino]-4-fluorobenzamide
CID 60841451
benzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate
CID 114280143
3-[(2-bromo-4,5,6,7-tetrahydro-1-benzothiophen-4-yl)amino]-4-fluorobenzamide
CID 82687291
4-fluoro-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)benzamide
CID 82852777
3-(cyclopentylamino)-5-fluoro-4-methylbenzamide
CID 43735724
N-(3-chloro-4-fluorophenyl)spiro[4.5]decan-8-amine
CID 114817207
2-fluoro-5-(spiro[4.5]decan-8-ylamino)benzonitrile
CID 114817606
4-chloro-2-(spiro[4.5]decan-8-ylamino)benzonitrile
CID 114817293

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(spiro[4.5]decan-8-ylamino)benzamide?
The IUPAC name of 4-fluoro-3-(spiro[4.5]decan-8-ylamino)benzamide (CID 114817334) is 4-fluoro-3-(spiro[4.5]decan-8-ylamino)benzamide.
What is the SMILES notation for 4-fluoro-3-(spiro[4.5]decan-8-ylamino)benzamide?
The canonical SMILES for 4-fluoro-3-(spiro[4.5]decan-8-ylamino)benzamide is NC(=O)c1ccc(F)c(NC2CCC3(CCCC3)CC2)c1.
What is the InChIKey of 4-fluoro-3-(spiro[4.5]decan-8-ylamino)benzamide?
The InChIKey is JDSJXBJDUYJQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c18-14-4-3-12(16(19)21)11-15(14)20-13-5-9-17(10-6-13)7-1-2-8-17/h3-4,11,13,20H,1-2,5-10H2,(H2,19,21).
What are the key properties of 4-fluoro-3-(spiro[4.5]decan-8-ylamino)benzamide?
4-fluoro-3-(spiro[4.5]decan-8-ylamino)benzamide has a molecular weight of 290.38 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(spiro[4.5]decan-8-ylamino)benzamide is sourced from PubChem (CID 114817334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).