2-chloro-N-(1-propan-2-yl-2,3-dihydro-1H-inden-4-yl)benzamide

C19H20ClNO — CID 13268056

IUPAC2-chloro-N-(1-propan-2-yl-2,3-dihydro-1H-inden-4-yl)benzamide
SMILESCC(C)C1CCc2c(NC(=O)c3ccccc3Cl)cccc21
InChIInChI=1S/C19H20ClNO/c1-12(2)13-10-11-15-14(13)7-5-9-18(15)21-19(22)16-6-3-4-8-17(16)20/h3-9,12-13H,10-11H2,1-2H3,(H,21,22)
InChIKeyDHUJKXZFNWBIGO-UHFFFAOYSA-N
MW313.83 g/mol
LogP5.28
Rot. Bonds3

About 2-chloro-N-(1-propan-2-yl-2,3-dihydro-1H-inden-4-yl)benzamide

2-chloro-N-(1-propan-2-yl-2,3-dihydro-1H-inden-4-yl)benzamide (PubChem CID 13268056) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 2-chloro-N-(1-propan-2-yl-2,3-dihydro-1H-inden-4-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(1-propan-2-yl-2,3-dihydro-1H-inden-4-yl)benzamide
PubChem CID13268056
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name2-chloro-N-(1-propan-2-yl-2,3-dihydro-1H-inden-4-yl)benzamide
SMILESCC(C)C1CCc2c(NC(=O)c3ccccc3Cl)cccc21
InChIInChI=1S/C19H20ClNO/c1-12(2)13-10-11-15-14(13)7-5-9-18(15)21-19(22)16-6-3-4-8-17(16)20/h3-9,12-13H,10-11H2,1-2H3,(H,21,22)
InChIKeyDHUJKXZFNWBIGO-UHFFFAOYSA-N
XLogP5.28
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.83
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1-propan-2-yl-2,3-dihydro-1H-inden-4-yl)benzamide?
The IUPAC name of 2-chloro-N-(1-propan-2-yl-2,3-dihydro-1H-inden-4-yl)benzamide (CID 13268056) is 2-chloro-N-(1-propan-2-yl-2,3-dihydro-1H-inden-4-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(1-propan-2-yl-2,3-dihydro-1H-inden-4-yl)benzamide?
The canonical SMILES for 2-chloro-N-(1-propan-2-yl-2,3-dihydro-1H-inden-4-yl)benzamide is CC(C)C1CCc2c(NC(=O)c3ccccc3Cl)cccc21.
What is the InChIKey of 2-chloro-N-(1-propan-2-yl-2,3-dihydro-1H-inden-4-yl)benzamide?
The InChIKey is DHUJKXZFNWBIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c1-12(2)13-10-11-15-14(13)7-5-9-18(15)21-19(22)16-6-3-4-8-17(16)20/h3-9,12-13H,10-11H2,1-2H3,(H,21,22).
What are the key properties of 2-chloro-N-(1-propan-2-yl-2,3-dihydro-1H-inden-4-yl)benzamide?
2-chloro-N-(1-propan-2-yl-2,3-dihydro-1H-inden-4-yl)benzamide has a molecular weight of 313.83 g/mol, XLogP of 5.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1-propan-2-yl-2,3-dihydro-1H-inden-4-yl)benzamide is sourced from PubChem (CID 13268056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).