N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C15H17FN2O — CID 141292827

IUPACN-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)(C)[C@@H](CF)NC(=O)c1ccc2c3[nH]c-3cc1-2
InChIInChI=1S/C15H17FN2O/c1-15(2,3)12(7-16)18-14(19)9-5-4-8-10(9)6-11-13(8)17-11/h4-6,12,17H,7H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyRSGZDLVSTRWAAM-GFCCVEGCSA-N
MW260.31 g/mol
LogP3.21
Rot. Bonds3

About N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141292827) has the molecular formula C15H17FN2O and a molecular weight of 260.31 g/mol. Its IUPAC name is N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141292827
Molecular FormulaC15H17FN2O
Molecular Weight260.31 g/mol
Exact Mass260.13
IUPAC NameN-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESCC(C)(C)[C@@H](CF)NC(=O)c1ccc2c3[nH]c-3cc1-2
InChIInChI=1S/C15H17FN2O/c1-15(2,3)12(7-16)18-14(19)9-5-4-8-10(9)6-11-13(8)17-11/h4-6,12,17H,7H2,1-3H3,(H,18,19)/t12-/m1/s1
InChIKeyRSGZDLVSTRWAAM-GFCCVEGCSA-N
XLogP3.21
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N'-tert-butyl-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carbohydrazide
CID 141405547
N-[1-(trifluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141405538
5-chloro-2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 103941089
N-(1-amino-3,3-dimethylbutan-2-yl)-2-fluoro-4-methylbenzamide
CID 114208039
3-[(4-amino-2-fluorobenzoyl)amino]-4,4-dimethylpentanoic acid
CID 107794801
2-fluoro-4-hydroxy-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106353165
6-(furan-2-yl)-N-[(2R)-1-hydroxy-3,3-dimethylbutan-2-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 125139391
2,5-dihydroxy-1-N,4-N-bis[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]benzene-1,4-dicarboxamide
CID 10692135
2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)-5-sulfanylbenzamide
CID 106357978
3-[(2-fluoro-4-methoxybenzoyl)amino]-4,4-dimethylpentanoic acid
CID 102882007
2,4-diamino-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzamide
CID 106347919
N-(1-amino-3,3-dimethylbutan-2-yl)-5-chloro-2-hydroxybenzamide
CID 114208009

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141292827) is N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is CC(C)(C)[C@@H](CF)NC(=O)c1ccc2c3[nH]c-3cc1-2.
What is the InChIKey of N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is RSGZDLVSTRWAAM-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17FN2O/c1-15(2,3)12(7-16)18-14(19)9-5-4-8-10(9)6-11-13(8)17-11/h4-6,12,17H,7H2,1-3H3,(H,18,19)/t12-/m1/s1.
What are the key properties of N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 260.31 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141292827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).