4-(2-fluorophenyl)-7-(hydroxymethyl)-9H-carbazole-1-carboxamide

C20H15FN2O2 — CID 59375101

IUPAC4-(2-fluorophenyl)-7-(hydroxymethyl)-9H-carbazole-1-carboxamide
SMILESNC(=O)c1ccc(-c2ccccc2F)c2c1[nH]c1cc(CO)ccc12
InChIInChI=1S/C20H15FN2O2/c21-16-4-2-1-3-12(16)13-7-8-15(20(22)25)19-18(13)14-6-5-11(10-24)9-17(14)23-19/h1-9,23-24H,10H2,(H2,22,25)
InChIKeyKVOLTPQRLBTPJA-UHFFFAOYSA-N
MW334.35 g/mol
LogP3.72
Rot. Bonds3

About 4-(2-fluorophenyl)-7-(hydroxymethyl)-9H-carbazole-1-carboxamide

4-(2-fluorophenyl)-7-(hydroxymethyl)-9H-carbazole-1-carboxamide (PubChem CID 59375101) has the molecular formula C20H15FN2O2 and a molecular weight of 334.35 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-7-(hydroxymethyl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenyl)-7-(hydroxymethyl)-9H-carbazole-1-carboxamide
PubChem CID59375101
Molecular FormulaC20H15FN2O2
Molecular Weight334.35 g/mol
Exact Mass334.11
IUPAC Name4-(2-fluorophenyl)-7-(hydroxymethyl)-9H-carbazole-1-carboxamide
SMILESNC(=O)c1ccc(-c2ccccc2F)c2c1[nH]c1cc(CO)ccc12
InChIInChI=1S/C20H15FN2O2/c21-16-4-2-1-3-12(16)13-7-8-15(20(22)25)19-18(13)14-6-5-11(10-24)9-17(14)23-19/h1-9,23-24H,10H2,(H2,22,25)
InChIKeyKVOLTPQRLBTPJA-UHFFFAOYSA-N
XLogP3.72
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 53.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-7-(hydroxymethyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 4-(2-fluorophenyl)-7-(hydroxymethyl)-9H-carbazole-1-carboxamide (CID 59375101) is 4-(2-fluorophenyl)-7-(hydroxymethyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-(2-fluorophenyl)-7-(hydroxymethyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-(2-fluorophenyl)-7-(hydroxymethyl)-9H-carbazole-1-carboxamide is NC(=O)c1ccc(-c2ccccc2F)c2c1[nH]c1cc(CO)ccc12.
What is the InChIKey of 4-(2-fluorophenyl)-7-(hydroxymethyl)-9H-carbazole-1-carboxamide?
The InChIKey is KVOLTPQRLBTPJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O2/c21-16-4-2-1-3-12(16)13-7-8-15(20(22)25)19-18(13)14-6-5-11(10-24)9-17(14)23-19/h1-9,23-24H,10H2,(H2,22,25).
What are the key properties of 4-(2-fluorophenyl)-7-(hydroxymethyl)-9H-carbazole-1-carboxamide?
4-(2-fluorophenyl)-7-(hydroxymethyl)-9H-carbazole-1-carboxamide has a molecular weight of 334.35 g/mol, XLogP of 3.72, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-7-(hydroxymethyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 59375101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).