N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

C19H18FN3O — CID 84612984

IUPACN-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESNc1cccc(NC(=O)C2CCc3[nH]c4ccc(F)cc4c3C2)c1
InChIInChI=1S/C19H18FN3O/c20-12-5-7-18-16(9-12)15-8-11(4-6-17(15)23-18)19(24)22-14-3-1-2-13(21)10-14/h1-3,5,7,9-11,23H,4,6,8,21H2,(H,22,24)
InChIKeyMWTXSNCOABFLKO-UHFFFAOYSA-N
MW323.37 g/mol
LogP3.63
Rot. Bonds2

About N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide

N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (PubChem CID 84612984) has the molecular formula C19H18FN3O and a molecular weight of 323.37 g/mol. Its IUPAC name is N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
PubChem CID84612984
Molecular FormulaC19H18FN3O
Molecular Weight323.37 g/mol
Exact Mass323.14
IUPAC NameN-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
SMILESNc1cccc(NC(=O)C2CCc3[nH]c4ccc(F)cc4c3C2)c1
InChIInChI=1S/C19H18FN3O/c20-12-5-7-18-16(9-12)15-8-11(4-6-17(15)23-18)19(24)22-14-3-1-2-13(21)10-14/h1-3,5,7,9-11,23H,4,6,8,21H2,(H,22,24)
InChIKeyMWTXSNCOABFLKO-UHFFFAOYSA-N
XLogP3.63
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 84612967
6-fluoro-N-[2-(trifluoromethyl)phenyl]-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203795
N-cycloheptyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203757
N-phenyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203609
6-fluoro-N-(2-phenylethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203728
N-butyl-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203690
6-fluoro-N-(3-phenylpropyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203754
N-(5-chloro-2-methoxyphenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 113203782
1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096809
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]cyclopropanecarboxamide
CID 22611246
ethyl 4-[(6-chloro-2,3,4,9-tetrahydro-1H-carbazole-3-carbonyl)amino]benzoate
CID 113203916
N-benzyl-6-fluoro-N-propan-2-yl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 91126905

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The IUPAC name of N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide (CID 84612984) is N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is Nc1cccc(NC(=O)C2CCc3[nH]c4ccc(F)cc4c3C2)c1.
What is the InChIKey of N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
The InChIKey is MWTXSNCOABFLKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O/c20-12-5-7-18-16(9-12)15-8-11(4-6-17(15)23-18)19(24)22-14-3-1-2-13(21)10-14/h1-3,5,7,9-11,23H,4,6,8,21H2,(H,22,24).
What are the key properties of N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide?
N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide has a molecular weight of 323.37 g/mol, XLogP of 3.63, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-6-fluoro-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide is sourced from PubChem (CID 84612984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).