2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide

C19H17FN2O — CID 113096528

IUPAC2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
SMILESO=C(NC1CCc2[nH]c3ccccc3c2C1)c1ccccc1F
InChIInChI=1S/C19H17FN2O/c20-16-7-3-1-6-14(16)19(23)21-12-9-10-18-15(11-12)13-5-2-4-8-17(13)22-18/h1-8,12,22H,9-11H2,(H,21,23)
InChIKeyUGZPIPXJBIMUEN-UHFFFAOYSA-N
MW308.36 g/mol
LogP3.59
Rot. Bonds2

About 2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide

2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide (PubChem CID 113096528) has the molecular formula C19H17FN2O and a molecular weight of 308.36 g/mol. Its IUPAC name is 2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
PubChem CID113096528
Molecular FormulaC19H17FN2O
Molecular Weight308.36 g/mol
Exact Mass308.13
IUPAC Name2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
SMILESO=C(NC1CCc2[nH]c3ccccc3c2C1)c1ccccc1F
InChIInChI=1S/C19H17FN2O/c20-16-7-3-1-6-14(16)19(23)21-12-9-10-18-15(11-12)13-5-2-4-8-17(13)22-18/h1-8,12,22H,9-11H2,(H,21,23)
InChIKeyUGZPIPXJBIMUEN-UHFFFAOYSA-N
XLogP3.59
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 53.59
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

2-hydroxy-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84580106
2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84579227
N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)naphthalene-1-carboxamide
CID 84579674
3-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)butanamide
CID 113096517
2-bromo-N-(6-methyl-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096862
4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097133
2-bromo-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097039
2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid
CID 20529231
3-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 57257831
4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579356
3-fluoro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84582022
(2S)-2-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 14130472

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The IUPAC name of 2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide (CID 113096528) is 2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide.
What is the SMILES notation for 2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The canonical SMILES for 2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide is O=C(NC1CCc2[nH]c3ccccc3c2C1)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The InChIKey is UGZPIPXJBIMUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O/c20-16-7-3-1-6-14(16)19(23)21-12-9-10-18-15(11-12)13-5-2-4-8-17(13)22-18/h1-8,12,22H,9-11H2,(H,21,23).
What are the key properties of 2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide has a molecular weight of 308.36 g/mol, XLogP of 3.59, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide is sourced from PubChem (CID 113096528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).