6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide

C16H19FN2O — CID 84613298

IUPAC6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
SMILESCC(C)n1c2c(c3cc(F)ccc31)CC(C(N)=O)CC2
InChIInChI=1S/C16H19FN2O/c1-9(2)19-14-5-3-10(16(18)20)7-12(14)13-8-11(17)4-6-15(13)19/h4,6,8-10H,3,5,7H2,1-2H3,(H2,18,20)
InChIKeyXVFQUSNASIIGIL-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.95
Rot. Bonds2

About 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide

6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide (PubChem CID 84613298) has the molecular formula C16H19FN2O and a molecular weight of 274.34 g/mol. Its IUPAC name is 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
PubChem CID84613298
Molecular FormulaC16H19FN2O
Molecular Weight274.34 g/mol
Exact Mass274.15
IUPAC Name6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
SMILESCC(C)n1c2c(c3cc(F)ccc31)CC(C(N)=O)CC2
InChIInChI=1S/C16H19FN2O/c1-9(2)19-14-5-3-10(16(18)20)7-12(14)13-8-11(17)4-6-15(13)19/h4,6,8-10H,3,5,7H2,1-2H3,(H2,18,20)
InChIKeyXVFQUSNASIIGIL-UHFFFAOYSA-N
XLogP2.95
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84613295
2-(3-amino-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl)butanoic acid;hydrochloride
CID 67204415
methyl 6-chloro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxylate
CID 84613304
9-ethyl-6-fluoro-1,2,3,4-tetrahydrocarbazole-3-carboxylic acid
CID 82121618
6,7-dimethyl-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide
CID 84613299
6-fluoro-9-propyl-1,2,3,4-tetrahydrocarbazole-3-carbohydrazide
CID 84613207
9-methyl-1,2,3,4-tetrahydrocarbazole-3-carboxamide
CID 84613056
2-[6-fluoro-3-[methyl(3-phenylpropanoyl)amino]-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67207218
2-[(3S)-3-[[2-(4-chlorophenyl)acetyl]-methylamino]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67426472
2-[3-[(2-chlorophenyl)methylcarbamoyl-methylamino]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]butanoic acid
CID 67206636
2-[3-[(3Z,5Z,7Z)-2H-azocine-1-carbonyl]-6-fluoro-1,2,3,4-tetrahydrocarbazol-9-yl]acetic acid
CID 142758640
ethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate
CID 10968558

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
The IUPAC name of 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide (CID 84613298) is 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide.
What is the SMILES notation for 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
The canonical SMILES for 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide is CC(C)n1c2c(c3cc(F)ccc31)CC(C(N)=O)CC2.
What is the InChIKey of 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
The InChIKey is XVFQUSNASIIGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O/c1-9(2)19-14-5-3-10(16(18)20)7-12(14)13-8-11(17)4-6-15(13)19/h4,6,8-10H,3,5,7H2,1-2H3,(H2,18,20).
What are the key properties of 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide?
6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide has a molecular weight of 274.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-9-propan-2-yl-1,2,3,4-tetrahydrocarbazole-3-carboxamide is sourced from PubChem (CID 84613298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).