N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylbicyclo[1.1.0]butane-1-carboxamide

C18H18F2N2O — CID 166432349

IUPACN-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylbicyclo[1.1.0]butane-1-carboxamide
SMILESCN(C(=O)C12CC1C2)C1CCc2[nH]c3c(F)cc(F)cc3c2C1
InChIInChI=1S/C18H18F2N2O/c1-22(17(23)18-7-9(18)8-18)11-2-3-15-12(6-11)13-4-10(19)5-14(20)16(13)21-15/h4-5,9,11,21H,2-3,6-8H2,1H3
InChIKeyCXRYVNRYMXNQME-UHFFFAOYSA-N
MW316.35 g/mol
LogP3.17
Rot. Bonds2

About N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylbicyclo[1.1.0]butane-1-carboxamide

N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylbicyclo[1.1.0]butane-1-carboxamide (PubChem CID 166432349) has the molecular formula C18H18F2N2O and a molecular weight of 316.35 g/mol. Its IUPAC name is N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylbicyclo[1.1.0]butane-1-carboxamide.

Molecular Properties

Compound NameN-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylbicyclo[1.1.0]butane-1-carboxamide
PubChem CID166432349
Molecular FormulaC18H18F2N2O
Molecular Weight316.35 g/mol
Exact Mass316.14
IUPAC NameN-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylbicyclo[1.1.0]butane-1-carboxamide
SMILESCN(C(=O)C12CC1C2)C1CCc2[nH]c3c(F)cc(F)cc3c2C1
InChIInChI=1S/C18H18F2N2O/c1-22(17(23)18-7-9(18)8-18)11-2-3-15-12(6-11)13-4-10(19)5-14(20)16(13)21-15/h4-5,9,11,21H,2-3,6-8H2,1H3
InChIKeyCXRYVNRYMXNQME-UHFFFAOYSA-N
XLogP3.17
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-fluoro-N-methylprop-2-enamide
CID 166431007
N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N,4-dimethylbenzamide
CID 23470229
6,8-difluoro-N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 23470307
N-[(2-chloro-4-nitrophenyl)methyl]-6,8-difluoro-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 23470527
6,8-difluoro-N-[(4-hexylphenyl)methyl]-N-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 23470200
6-fluoro-8-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-ol
CID 65332564
6,8-difluoro-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
CID 65335745
(3S)-7,8-difluoro-N,N-dimethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 129404110
6,8-difluoro-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol
CID 65333382
(3S)-6,8-difluoro-N-[5-(5-fluoro-3-pyridinyl)-3-methylpyrazolo[1,5-a]pyrimidin-7-yl]-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 140944601
N,2,2-trimethyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 113097309
6-(dimethylamino)-N,N-dimethyl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 23470505

Frequently Asked Questions

What is the IUPAC name of N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylbicyclo[1.1.0]butane-1-carboxamide?
The IUPAC name of N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylbicyclo[1.1.0]butane-1-carboxamide (CID 166432349) is N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylbicyclo[1.1.0]butane-1-carboxamide.
What is the SMILES notation for N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylbicyclo[1.1.0]butane-1-carboxamide?
The canonical SMILES for N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylbicyclo[1.1.0]butane-1-carboxamide is CN(C(=O)C12CC1C2)C1CCc2[nH]c3c(F)cc(F)cc3c2C1.
What is the InChIKey of N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylbicyclo[1.1.0]butane-1-carboxamide?
The InChIKey is CXRYVNRYMXNQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F2N2O/c1-22(17(23)18-7-9(18)8-18)11-2-3-15-12(6-11)13-4-10(19)5-14(20)16(13)21-15/h4-5,9,11,21H,2-3,6-8H2,1H3.
What are the key properties of N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylbicyclo[1.1.0]butane-1-carboxamide?
N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylbicyclo[1.1.0]butane-1-carboxamide has a molecular weight of 316.35 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,8-difluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylbicyclo[1.1.0]butane-1-carboxamide is sourced from PubChem (CID 166432349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).