N-[(1R)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-2-(tetrazol-1-yl)acetamide

C12H11Cl2N5O — CID 95767850

IUPACN-[(1R)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)N[C@@H]1CCc2c1ccc(Cl)c2Cl
InChIInChI=1S/C12H11Cl2N5O/c13-9-3-1-7-8(12(9)14)2-4-10(7)16-11(20)5-19-6-15-17-18-19/h1,3,6,10H,2,4-5H2,(H,16,20)/t10-/m1/s1
InChIKeyPDQWRBQQWMAXGB-SNVBAGLBSA-N
MW312.16 g/mol
LogP1.78
Rot. Bonds3

About N-[(1R)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-2-(tetrazol-1-yl)acetamide

N-[(1R)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-2-(tetrazol-1-yl)acetamide (PubChem CID 95767850) has the molecular formula C12H11Cl2N5O and a molecular weight of 312.16 g/mol. Its IUPAC name is N-[(1R)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-2-(tetrazol-1-yl)acetamide
PubChem CID95767850
Molecular FormulaC12H11Cl2N5O
Molecular Weight312.16 g/mol
Exact Mass311.03
IUPAC NameN-[(1R)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-2-(tetrazol-1-yl)acetamide
SMILESO=C(Cn1cnnn1)N[C@@H]1CCc2c1ccc(Cl)c2Cl
InChIInChI=1S/C12H11Cl2N5O/c13-9-3-1-7-8(12(9)14)2-4-10(7)16-11(20)5-19-6-15-17-18-19/h1,3,6,10H,2,4-5H2,(H,16,20)/t10-/m1/s1
InChIKeyPDQWRBQQWMAXGB-SNVBAGLBSA-N
XLogP1.78
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.16
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(1R)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-2-(tetrazol-1-yl)acetamide (CID 95767850) is N-[(1R)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(1R)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(1R)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-2-(tetrazol-1-yl)acetamide is O=C(Cn1cnnn1)N[C@@H]1CCc2c1ccc(Cl)c2Cl.
What is the InChIKey of N-[(1R)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is PDQWRBQQWMAXGB-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H11Cl2N5O/c13-9-3-1-7-8(12(9)14)2-4-10(7)16-11(20)5-19-6-15-17-18-19/h1,3,6,10H,2,4-5H2,(H,16,20)/t10-/m1/s1.
What are the key properties of N-[(1R)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-2-(tetrazol-1-yl)acetamide?
N-[(1R)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 312.16 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 95767850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).