N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

C20H25FN2O — CID 113203757

IUPACN-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C20H25FN2O/c21-14-8-10-19-17(12-14)16-11-13(7-9-18(16)23-19)20(24)22-15-5-3-1-2-4-6-15/h8,10,12-13,15,23H,1-7,9,11H2,(H,22,24)
InChIKeyIVLCKQVDLYHEQN-UHFFFAOYSA-N
MW328.43 g/mol
LogP4.25
Rot. Bonds2

About N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 113203757) has the molecular formula C20H25FN2O and a molecular weight of 328.43 g/mol. Its IUPAC name is N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID113203757
Molecular FormulaC20H25FN2O
Molecular Weight328.43 g/mol
Exact Mass328.20
IUPAC NameN-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESO=C(NC1CCCCCC1)C1CCc2[nH]c3ccc(F)cc3c2C1
InChIInChI=1S/C20H25FN2O/c21-14-8-10-19-17(12-14)16-11-13(7-9-18(16)23-19)20(24)22-15-5-3-1-2-4-6-15/h8,10,12-13,15,23H,1-7,9,11H2,(H,22,24)
InChIKeyIVLCKQVDLYHEQN-UHFFFAOYSA-N
XLogP4.25
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.43
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096803
N-cyclohexyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203935
1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096809
N-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203690
N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612984
6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203795
6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203728
6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203754
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2,2-dimethylpropanamide
CID 113096752
N-(5-chloro-2-methoxyphenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203782
6-chloro-N-(1,1-dioxothiolan-3-yl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203868
ethyl 4-[(6-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbonyl)amino]piperidine-1-carboxylate
CID 113204130

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 113203757) is N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is O=C(NC1CCCCCC1)C1CCc2[nH]c3ccc(F)cc3c2C1.
What is the InChIKey of N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is IVLCKQVDLYHEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O/c21-14-8-10-19-17(12-14)16-11-13(7-9-18(16)23-19)20(24)22-15-5-3-1-2-4-6-15/h8,10,12-13,15,23H,1-7,9,11H2,(H,22,24).
What are the key properties of N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 328.43 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 113203757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).