3-fluoro-4-(3-formamido-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

C24H26FN3O3 — CID 129237159

IUPAC3-fluoro-4-(3-formamido-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCc1c(NC=O)cccc1-c1c(F)cc(C(N)=O)c2[nH]c3c(c12)CCC(C(C)(C)O)C3
InChIInChI=1S/C24H26FN3O3/c1-12-14(5-4-6-18(12)27-11-29)20-17(25)10-16(23(26)30)22-21(20)15-8-7-13(24(2,3)31)9-19(15)28-22/h4-6,10-11,13,28,31H,7-9H2,1-3H3,(H2,26,30)(H,27,29)
InChIKeyQKEWEUVTZRCCGM-UHFFFAOYSA-N
MW423.49 g/mol
LogP3.83
Rot. Bonds5

About 3-fluoro-4-(3-formamido-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide

3-fluoro-4-(3-formamido-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (PubChem CID 129237159) has the molecular formula C24H26FN3O3 and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-fluoro-4-(3-formamido-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.

Molecular Properties

Compound Name3-fluoro-4-(3-formamido-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
PubChem CID129237159
Molecular FormulaC24H26FN3O3
Molecular Weight423.49 g/mol
Exact Mass423.20
IUPAC Name3-fluoro-4-(3-formamido-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
SMILESCc1c(NC=O)cccc1-c1c(F)cc(C(N)=O)c2[nH]c3c(c12)CCC(C(C)(C)O)C3
InChIInChI=1S/C24H26FN3O3/c1-12-14(5-4-6-18(12)27-11-29)20-17(25)10-16(23(26)30)22-21(20)15-8-7-13(24(2,3)31)9-19(15)28-22/h4-6,10-11,13,28,31H,7-9H2,1-3H3,(H2,26,30)(H,27,29)
InChIKeyQKEWEUVTZRCCGM-UHFFFAOYSA-N
XLogP3.83
TPSA108.21 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

[2-[[3-[(7S)-1-carbamoyl-3-fluoro-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]-6-fluorophenyl] N-methylcarbamate
CID 135155562
(7S)-3-fluoro-4-[3-(8-fluoro-1-methyl-2,4-dioxoquinazolin-3-yl)-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 86582336
3-fluoro-4-[3-[formyl(methyl)amino]-2-methylphenyl]-7-propan-2-yl-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 129236991
4-[2-chloro-3-(prop-1-enylsulfonylamino)phenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 151268678
4-bromo-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 59375022
7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 154407267
4-[3-[ethenylsulfanyl(methyl)amino]-2-methylphenyl]-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 146208468
7-(2-hydroxypropan-2-yl)-4-[2-methyl-3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 141366296
N-[3-[(7S)-1-acetyl-3-chloro-7-(2-hydroxypropan-2-yl)-2,5,6,7,8,9-hexahydro-1H-carbazol-4-yl]-2-methylphenyl]acetamide
CID 163949322
5-tert-butyl-2-[[3-[1-carbamoyl-7-(hydroxymethyl)-6,7,8,9-tetrahydro-5H-carbazol-4-yl]-2-methylphenyl]carbamoyl]benzoic acid
CID 66606358
4-bromo-7-(trifluoromethyl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide
CID 130362598
8-[(5S)-5-aminocyclohexen-1-yl]-7-fluoro-1,2,3,4-tetrahydrocyclopenta[b]indole-5-carboxamide
CID 156888365

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(3-formamido-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The IUPAC name of 3-fluoro-4-(3-formamido-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide (CID 129237159) is 3-fluoro-4-(3-formamido-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide.
What is the SMILES notation for 3-fluoro-4-(3-formamido-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The canonical SMILES for 3-fluoro-4-(3-formamido-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is Cc1c(NC=O)cccc1-c1c(F)cc(C(N)=O)c2[nH]c3c(c12)CCC(C(C)(C)O)C3.
What is the InChIKey of 3-fluoro-4-(3-formamido-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
The InChIKey is QKEWEUVTZRCCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN3O3/c1-12-14(5-4-6-18(12)27-11-29)20-17(25)10-16(23(26)30)22-21(20)15-8-7-13(24(2,3)31)9-19(15)28-22/h4-6,10-11,13,28,31H,7-9H2,1-3H3,(H2,26,30)(H,27,29).
What are the key properties of 3-fluoro-4-(3-formamido-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide?
3-fluoro-4-(3-formamido-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.83, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(3-formamido-2-methylphenyl)-7-(2-hydroxypropan-2-yl)-6,7,8,9-tetrahydro-5H-carbazole-1-carboxamide is sourced from PubChem (CID 129237159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).