N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide

C18H16N2O2 — CID 9159432

IUPACN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H16N2O2/c21-18(16-11-12-5-1-3-7-14(12)19-16)20-15-9-10-22-17-8-4-2-6-13(15)17/h1-8,11,15,19H,9-10H2,(H,20,21)/t15-/m0/s1
InChIKeySQDXTFZZVRSBBQ-HNNXBMFYSA-N
MW292.34 g/mol
LogP3.42
Rot. Bonds2

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

N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide (PubChem CID 9159432) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide
PubChem CID9159432
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC NameN-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide
SMILESO=C(N[C@H]1CCOc2ccccc21)c1cc2ccccc2[nH]1
InChIInChI=1S/C18H16N2O2/c21-18(16-11-12-5-1-3-7-14(12)19-16)20-15-9-10-22-17-8-4-2-6-13(15)17/h1-8,11,15,19H,9-10H2,(H,20,21)/t15-/m0/s1
InChIKeySQDXTFZZVRSBBQ-HNNXBMFYSA-N
XLogP3.42
TPSA54.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-indole-2-carboxamide;hydrochloride
CID 141145124
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
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-[4-(1H-indol-2-yl)piperidin-1-yl]acetamide
CID 52538400
3-chloro-N-(3,4-dihydro-2H-chromen-4-yl)-1H-indole-2-carboxamide
CID 47048118
3,5-dichloro-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 46813722
N-[2-[(8-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)amino]-2-oxoethyl]-1H-indole-2-carboxamide
CID 138999721
4-N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-pyrrole-2,4-dicarboxamide
CID 99804582
N-(3,4-dihydro-2H-chromen-4-yl)-3,4-dihydroxybenzamide
CID 103955438
4-amino-N-(3,4-dihydro-2H-chromen-4-yl)benzamide
CID 43709544
N-(4-aminocyclohexyl)-1H-indole-2-carboxamide
CID 62318715
N-(3,4-dihydro-2H-chromen-4-yl)-2-fluorobenzamide
CID 18193126

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide?
The IUPAC name of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide (CID 9159432) is N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide?
The canonical SMILES for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide is O=C(N[C@H]1CCOc2ccccc21)c1cc2ccccc2[nH]1.
What is the InChIKey of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide?
The InChIKey is SQDXTFZZVRSBBQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16N2O2/c21-18(16-11-12-5-1-3-7-14(12)19-16)20-15-9-10-22-17-8-4-2-6-13(15)17/h1-8,11,15,19H,9-10H2,(H,20,21)/t15-/m0/s1.
What are the key properties of N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide?
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide has a molecular weight of 292.34 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 9159432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).