2-fluoro-7-methyl-N-(methylideneamino)-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide

C15H16FN3O — CID 130393656

IUPAC2-fluoro-7-methyl-N-(methylideneamino)-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide
SMILESC=NNC(=O)c1cc(F)cc2[nH]c3c(c12)CCC(C)C3
InChIInChI=1S/C15H16FN3O/c1-8-3-4-10-12(5-8)18-13-7-9(16)6-11(14(10)13)15(20)19-17-2/h6-8,18H,2-5H2,1H3,(H,19,20)
InChIKeyHPYZQBIBMWMHHK-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.78
Rot. Bonds2

About 2-fluoro-7-methyl-N-(methylideneamino)-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide

2-fluoro-7-methyl-N-(methylideneamino)-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide (PubChem CID 130393656) has the molecular formula C15H16FN3O and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-fluoro-7-methyl-N-(methylideneamino)-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide.

Molecular Properties

Compound Name2-fluoro-7-methyl-N-(methylideneamino)-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide
PubChem CID130393656
Molecular FormulaC15H16FN3O
Molecular Weight273.31 g/mol
Exact Mass273.13
IUPAC Name2-fluoro-7-methyl-N-(methylideneamino)-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide
SMILESC=NNC(=O)c1cc(F)cc2[nH]c3c(c12)CCC(C)C3
InChIInChI=1S/C15H16FN3O/c1-8-3-4-10-12(5-8)18-13-7-9(16)6-11(14(10)13)15(20)19-17-2/h6-8,18H,2-5H2,1H3,(H,19,20)
InChIKeyHPYZQBIBMWMHHK-UHFFFAOYSA-N
XLogP2.78
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-8-fluoro-2,5-dimethyl-2,3,4,9-tetrahydro-1H-carbazole
CID 158248898
7-fluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-amine
CID 84622882
N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 42909167
(6S)-2-[(4-fluorobenzoyl)amino]-N,6-dimethyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 7474817
N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 17433866
1,3-difluoro-N,7-dimethyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 62943341
6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18104801
4-(dimethylamino)-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84582311
(6R)-N-(4-bromo-2-fluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 2495222
N-(3-fluorophenyl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 2960348
2-[(4-fluorobenzoyl)amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 3783108
N,6-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 45355617

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-7-methyl-N-(methylideneamino)-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide?
The IUPAC name of 2-fluoro-7-methyl-N-(methylideneamino)-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide (CID 130393656) is 2-fluoro-7-methyl-N-(methylideneamino)-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide.
What is the SMILES notation for 2-fluoro-7-methyl-N-(methylideneamino)-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide?
The canonical SMILES for 2-fluoro-7-methyl-N-(methylideneamino)-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide is C=NNC(=O)c1cc(F)cc2[nH]c3c(c12)CCC(C)C3.
What is the InChIKey of 2-fluoro-7-methyl-N-(methylideneamino)-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide?
The InChIKey is HPYZQBIBMWMHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O/c1-8-3-4-10-12(5-8)18-13-7-9(16)6-11(14(10)13)15(20)19-17-2/h6-8,18H,2-5H2,1H3,(H,19,20).
What are the key properties of 2-fluoro-7-methyl-N-(methylideneamino)-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide?
2-fluoro-7-methyl-N-(methylideneamino)-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide has a molecular weight of 273.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-7-methyl-N-(methylideneamino)-6,7,8,9-tetrahydro-5H-carbazole-4-carboxamide is sourced from PubChem (CID 130393656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).