3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide

C20H18F2N2O — CID 3428305

IUPAC3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(F)c(F)c1
InChIInChI=1S/C20H18F2N2O/c21-16-7-6-13(10-17(16)22)20(25)23-11-12-5-8-19-15(9-12)14-3-1-2-4-18(14)24-19/h5-10,24H,1-4,11H2,(H,23,25)
InChIKeyXGFKTVXEXIDGDQ-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.25
Rot. Bonds3

About 3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide

3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide (PubChem CID 3428305) has the molecular formula C20H18F2N2O and a molecular weight of 340.37 g/mol. Its IUPAC name is 3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
PubChem CID3428305
Molecular FormulaC20H18F2N2O
Molecular Weight340.37 g/mol
Exact Mass340.14
IUPAC Name3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(F)c(F)c1
InChIInChI=1S/C20H18F2N2O/c21-16-7-6-13(10-17(16)22)20(25)23-11-12-5-8-19-15(9-12)14-3-1-2-4-18(14)24-19/h5-10,24H,1-4,11H2,(H,23,25)
InChIKeyXGFKTVXEXIDGDQ-UHFFFAOYSA-N
XLogP4.25
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
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

N-[(1,3-diaminoisoquinolin-7-yl)methyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 172622961
N-prop-2-ynyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18109932
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pentanamide
CID 4612444
3,4-difluoro-N-[(4-fluorophenyl)methyl]benzamide
CID 28558368
N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)-1-benzofuran-2-carboxamide
CID 3297671
(2R)-2-(3,4-difluorobenzoyl)-3-oxo-3-(6,7,8,9-tetrahydro-5H-carbazol-3-yl)propanenitrile
CID 98472758
1-cyclohexyl-3-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)urea
CID 3341724
3-(carbamoylamino)-N-(6,7,8,9,10,11-hexahydro-5H-cycloocta[b]indol-2-ylmethyl)propanamide
CID 56867108
1-methyl-6-oxo-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)pyridazine-3-carboxamide
CID 56875329
methyl (2S)-2-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethylcarbamoylamino)propanoate
CID 56879720
N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 51185250
N-[2-(4-methoxyphenyl)ethyl]-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 27548310

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide?
The IUPAC name of 3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide (CID 3428305) is 3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide.
What is the SMILES notation for 3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide?
The canonical SMILES for 3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide is O=C(NCc1ccc2[nH]c3c(c2c1)CCCC3)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide?
The InChIKey is XGFKTVXEXIDGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O/c21-16-7-6-13(10-17(16)22)20(25)23-11-12-5-8-19-15(9-12)14-3-1-2-4-18(14)24-19/h5-10,24H,1-4,11H2,(H,23,25).
What are the key properties of 3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide?
3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide has a molecular weight of 340.37 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(6,7,8,9-tetrahydro-5H-carbazol-3-ylmethyl)benzamide is sourced from PubChem (CID 3428305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).