N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

C20H18F2N2O — CID 42909167

IUPACN-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCC1CCc2[nH]c3ccc(C(=O)Nc4ccc(F)cc4F)cc3c2C1
InChIInChI=1S/C20H18F2N2O/c1-11-2-5-17-14(8-11)15-9-12(3-6-18(15)23-17)20(25)24-19-7-4-13(21)10-16(19)22/h3-4,6-7,9-11,23H,2,5,8H2,1H3,(H,24,25)
InChIKeyBWRSCSXMOFIMKD-UHFFFAOYSA-N
MW340.37 g/mol
LogP4.82
Rot. Bonds2

About N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide

N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (PubChem CID 42909167) has the molecular formula C20H18F2N2O and a molecular weight of 340.37 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
PubChem CID42909167
Molecular FormulaC20H18F2N2O
Molecular Weight340.37 g/mol
Exact Mass340.14
IUPAC NameN-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
SMILESCC1CCc2[nH]c3ccc(C(=O)Nc4ccc(F)cc4F)cc3c2C1
InChIInChI=1S/C20H18F2N2O/c1-11-2-5-17-14(8-11)15-9-12(3-6-18(15)23-17)20(25)24-19-7-4-13(21)10-16(19)22/h3-4,6-7,9-11,23H,2,5,8H2,1H3,(H,24,25)
InChIKeyBWRSCSXMOFIMKD-UHFFFAOYSA-N
XLogP4.82
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(6R)-N-(4-bromo-2-fluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 2495222
(6R)-N-(2-methoxyphenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 26538290
N'-acetyl-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 17433866
N-[3-[(4-fluorophenyl)sulfamoyl]-4-methylphenyl]-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 4837245
6-methyl-N-propyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 18104801
methyl 3-[[(6S)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl]amino]benzoate
CID 30805049
6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 4052175
N-(4,5-dihydro-1,3-thiazol-2-yl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 43008935
(6S)-6-methyl-N-(1,3-thiazol-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 2527812
(6R)-N-(2-acetamidoethyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 41090432
methyl 2-[4-[(6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbonyl)amino]phenyl]acetate
CID 42941245
(6R)-N'-(4-methoxybenzoyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carbohydrazide
CID 92516183

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide (CID 42909167) is N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is CC1CCc2[nH]c3ccc(C(=O)Nc4ccc(F)cc4F)cc3c2C1.
What is the InChIKey of N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
The InChIKey is BWRSCSXMOFIMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O/c1-11-2-5-17-14(8-11)15-9-12(3-6-18(15)23-17)20(25)24-19-7-4-13(21)10-16(19)22/h3-4,6-7,9-11,23H,2,5,8H2,1H3,(H,24,25).
What are the key properties of N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide?
N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide has a molecular weight of 340.37 g/mol, XLogP of 4.82, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-6-methyl-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide is sourced from PubChem (CID 42909167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).