N-[(2aR,4R)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-yl]-2-phenylacetamide

C19H20N2O — CID 122390964

IUPACN-[(2aR,4R)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@H]1Cc2cccc3c2[C@H](CN3)C1
InChIInChI=1S/C19H20N2O/c22-18(9-13-5-2-1-3-6-13)21-16-10-14-7-4-8-17-19(14)15(11-16)12-20-17/h1-8,15-16,20H,9-12H2,(H,21,22)/t15-,16-/m0/s1
InChIKeyKKZJFCHDUXKKPK-HOTGVXAUSA-N
MW292.38 g/mol
LogP2.87
Rot. Bonds3

About N-[(2aR,4R)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-yl]-2-phenylacetamide

N-[(2aR,4R)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-yl]-2-phenylacetamide (PubChem CID 122390964) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[(2aR,4R)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-yl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[(2aR,4R)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-yl]-2-phenylacetamide
PubChem CID122390964
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-[(2aR,4R)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-yl]-2-phenylacetamide
SMILESO=C(Cc1ccccc1)N[C@H]1Cc2cccc3c2[C@H](CN3)C1
InChIInChI=1S/C19H20N2O/c22-18(9-13-5-2-1-3-6-13)21-16-10-14-7-4-8-17-19(14)15(11-16)12-20-17/h1-8,15-16,20H,9-12H2,(H,21,22)/t15-,16-/m0/s1
InChIKeyKKZJFCHDUXKKPK-HOTGVXAUSA-N
XLogP2.87
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2aR,4R)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-yl]-2-phenylacetamide?
The IUPAC name of N-[(2aR,4R)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-yl]-2-phenylacetamide (CID 122390964) is N-[(2aR,4R)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-yl]-2-phenylacetamide.
What is the SMILES notation for N-[(2aR,4R)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-yl]-2-phenylacetamide?
The canonical SMILES for N-[(2aR,4R)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-yl]-2-phenylacetamide is O=C(Cc1ccccc1)N[C@H]1Cc2cccc3c2[C@H](CN3)C1.
What is the InChIKey of N-[(2aR,4R)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-yl]-2-phenylacetamide?
The InChIKey is KKZJFCHDUXKKPK-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H20N2O/c22-18(9-13-5-2-1-3-6-13)21-16-10-14-7-4-8-17-19(14)15(11-16)12-20-17/h1-8,15-16,20H,9-12H2,(H,21,22)/t15-,16-/m0/s1.
What are the key properties of N-[(2aR,4R)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-yl]-2-phenylacetamide?
N-[(2aR,4R)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-yl]-2-phenylacetamide has a molecular weight of 292.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2aR,4R)-1,2,2a,3,4,5-hexahydrobenzo[cd]indol-4-yl]-2-phenylacetamide is sourced from PubChem (CID 122390964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).