3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide

C18H15ClN2O2 — CID 47048118

IUPAC3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide
SMILESO=C(NC1CCOc2ccccc21)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C18H15ClN2O2/c19-16-12-6-1-3-7-13(12)20-17(16)18(22)21-14-9-10-23-15-8-4-2-5-11(14)15/h1-8,14,20H,9-10H2,(H,21,22)
InChIKeyVSFPVGRGURIBMS-UHFFFAOYSA-N
MW326.78 g/mol
LogP4.07
Rot. Bonds2

About 3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide

3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide (PubChem CID 47048118) has the molecular formula C18H15ClN2O2 and a molecular weight of 326.78 g/mol. Its IUPAC name is 3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide
PubChem CID47048118
Molecular FormulaC18H15ClN2O2
Molecular Weight326.78 g/mol
Exact Mass326.08
IUPAC Name3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide
SMILESO=C(NC1CCOc2ccccc21)c1[nH]c2ccccc2c1Cl
InChIInChI=1S/C18H15ClN2O2/c19-16-12-6-1-3-7-13(12)20-17(16)18(22)21-14-9-10-23-15-8-4-2-5-11(14)15/h1-8,14,20H,9-10H2,(H,21,22)
InChIKeyVSFPVGRGURIBMS-UHFFFAOYSA-N
XLogP4.07
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide
CID 9159432
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]cinnoline-3-carboxamide
CID 137372084
[(2R)-1-[[(4R)-3,4-dihydro-2H-chromen-4-yl]amino]-1-oxopropan-2-yl] 3-bromo-1H-indole-2-carboxylate
CID 97185800
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 18164397
2,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 17398547
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572299
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2-carboxamide
CID 95572300
8-bromo-4-chloro-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]quinoline-3-carboxamide
CID 134498034
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-5-sulfanylbenzamide
CID 107028267
2-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-6-fluorobenzamide
CID 51173221
N-(3,4-dihydro-2H-chromen-4-yl)pyridine-4-carboxamide
CID 18164392

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide?
The IUPAC name of 3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide (CID 47048118) is 3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide is O=C(NC1CCOc2ccccc21)c1[nH]c2ccccc2c1Cl.
What is the InChIKey of 3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide?
The InChIKey is VSFPVGRGURIBMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O2/c19-16-12-6-1-3-7-13(12)20-17(16)18(22)21-14-9-10-23-15-8-4-2-5-11(14)15/h1-8,14,20H,9-10H2,(H,21,22).
What are the key properties of 3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide?
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide has a molecular weight of 326.78 g/mol, XLogP of 4.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide is sourced from PubChem (CID 47048118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).