N-(1,3-dichloro-2-methylpropan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide

C14H17Cl2NO — CID 106894284

IUPACN-(1,3-dichloro-2-methylpropan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC(CCl)(CCl)NC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C14H17Cl2NO/c1-14(8-15,9-16)17-13(18)12-6-10-4-2-3-5-11(10)7-12/h2-5,12H,6-9H2,1H3,(H,17,18)
InChIKeyNTCIQOQNIWOQIC-UHFFFAOYSA-N
MW286.20 g/mol
LogP2.75
Rot. Bonds4

About N-(1,3-dichloro-2-methylpropan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide

N-(1,3-dichloro-2-methylpropan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106894284) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is N-(1,3-dichloro-2-methylpropan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dichloro-2-methylpropan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106894284
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC NameN-(1,3-dichloro-2-methylpropan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESCC(CCl)(CCl)NC(=O)C1Cc2ccccc2C1
InChIInChI=1S/C14H17Cl2NO/c1-14(8-15,9-16)17-13(18)12-6-10-4-2-3-5-11(10)7-12/h2-5,12H,6-9H2,1H3,(H,17,18)
InChIKeyNTCIQOQNIWOQIC-UHFFFAOYSA-N
XLogP2.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dichloro-2-methylpropan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(1,3-dichloro-2-methylpropan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide (CID 106894284) is N-(1,3-dichloro-2-methylpropan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(1,3-dichloro-2-methylpropan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(1,3-dichloro-2-methylpropan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide is CC(CCl)(CCl)NC(=O)C1Cc2ccccc2C1.
What is the InChIKey of N-(1,3-dichloro-2-methylpropan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is NTCIQOQNIWOQIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-14(8-15,9-16)17-13(18)12-6-10-4-2-3-5-11(10)7-12/h2-5,12H,6-9H2,1H3,(H,17,18).
What are the key properties of N-(1,3-dichloro-2-methylpropan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(1,3-dichloro-2-methylpropan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 286.20 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dichloro-2-methylpropan-2-yl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106894284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).