N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide

C17H15ClN2O2 — CID 113097229

IUPACN-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide
SMILESO=C(NC1CCc2[nH]c3cc(Cl)ccc3c2C1)c1ccco1
InChIInChI=1S/C17H15ClN2O2/c18-10-3-5-12-13-9-11(4-6-14(13)20-15(12)8-10)19-17(21)16-2-1-7-22-16/h1-3,5,7-8,11,20H,4,6,9H2,(H,19,21)
InChIKeyFXOWJLIRHFGKQG-UHFFFAOYSA-N
MW314.77 g/mol
LogP3.70
Rot. Bonds2

About N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide

N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide (PubChem CID 113097229) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide
PubChem CID113097229
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC NameN-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide
SMILESO=C(NC1CCc2[nH]c3cc(Cl)ccc3c2C1)c1ccco1
InChIInChI=1S/C17H15ClN2O2/c18-10-3-5-12-13-9-11(4-6-14(13)20-15(12)8-10)19-17(21)16-2-1-7-22-16/h1-3,5,7-8,11,20H,4,6,9H2,(H,19,21)
InChIKeyFXOWJLIRHFGKQG-UHFFFAOYSA-N
XLogP3.70
TPSA58.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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
N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-(4-methylphenyl)acetamide
CID 113097267
4-fluoro-N-(7-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113097133
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)pyridine-3-carboxamide
CID 113096983
3-chloro-N-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096785
N-(7-methoxy-1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)furan-2-carboxamide
CID 84579141
1-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-propan-2-ylurea
CID 113096999
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-3-methylbutanamide
CID 113096950
N-(6-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-2-thiophen-2-ylacetamide
CID 113096971
2-fluoro-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)benzamide
CID 113096528
(2S)-2-[(2-chloroacetyl)amino]-3-phenyl-N-(2,3,4,9-tetrahydro-1H-carbazol-3-yl)propanamide
CID 14130472
4-chloro-N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)benzamide
CID 84579356

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide?
The IUPAC name of N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide (CID 113097229) is N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide?
The canonical SMILES for N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide is O=C(NC1CCc2[nH]c3cc(Cl)ccc3c2C1)c1ccco1.
What is the InChIKey of N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide?
The InChIKey is FXOWJLIRHFGKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-10-3-5-12-13-9-11(4-6-14(13)20-15(12)8-10)19-17(21)16-2-1-7-22-16/h1-3,5,7-8,11,20H,4,6,9H2,(H,19,21).
What are the key properties of N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide?
N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide has a molecular weight of 314.77 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 113097229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).