4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide

C19H16F2N2O — CID 113097133

IUPAC4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
SMILESO=C(NC1CCc2[nH]c3cc(F)ccc3c2C1)c1ccc(F)cc1
InChIInChI=1S/C19H16F2N2O/c20-12-3-1-11(2-4-12)19(24)22-14-6-8-17-16(10-14)15-7-5-13(21)9-18(15)23-17/h1-5,7,9,14,23H,6,8,10H2,(H,22,24)
InChIKeyCKLYTFNVZULCKC-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.73
Rot. Bonds2

About 4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide

4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide (PubChem CID 113097133) has the molecular formula C19H16F2N2O and a molecular weight of 326.35 g/mol. Its IUPAC name is 4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide.

Molecular Properties

Compound Name4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
PubChem CID113097133
Molecular FormulaC19H16F2N2O
Molecular Weight326.35 g/mol
Exact Mass326.12
IUPAC Name4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
SMILESO=C(NC1CCc2[nH]c3cc(F)ccc3c2C1)c1ccc(F)cc1
InChIInChI=1S/C19H16F2N2O/c20-12-3-1-11(2-4-12)19(24)22-14-6-8-17-16(10-14)15-7-5-13(21)9-18(15)23-17/h1-5,7,9,14,23H,6,8,10H2,(H,22,24)
InChIKeyCKLYTFNVZULCKC-UHFFFAOYSA-N
XLogP3.73
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.73
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

N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide
CID 113097125
ethyl N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)carbamate
CID 113097176
N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methoxyphenyl)acetamide
CID 113097150
1-cyclopropyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096809
3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096785
N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2,2-dimethylpropanamide
CID 113096752
1-cyclohexyl-3-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)urea
CID 113096803
2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096528
1-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine
CID 84626995
4-fluoro-N-(7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579471
3,4-difluoro-N-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097069
N-[6-(ethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide
CID 22611338

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The IUPAC name of 4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide (CID 113097133) is 4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide.
What is the SMILES notation for 4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The canonical SMILES for 4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide is O=C(NC1CCc2[nH]c3cc(F)ccc3c2C1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
The InChIKey is CKLYTFNVZULCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O/c20-12-3-1-11(2-4-12)19(24)22-14-6-8-17-16(10-14)15-7-5-13(21)9-18(15)23-17/h1-5,7,9,14,23H,6,8,10H2,(H,22,24).
What are the key properties of 4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide?
4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide has a molecular weight of 326.35 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide is sourced from PubChem (CID 113097133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).