N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylpropanamide

C15H18ClNO — CID 83149871

IUPACN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylpropanamide
SMILESCC(C(=O)NC1c2ccccc2CC1Cl)C1CC1
InChIInChI=1S/C15H18ClNO/c1-9(10-6-7-10)15(18)17-14-12-5-3-2-4-11(12)8-13(14)16/h2-5,9-10,13-14H,6-8H2,1H3,(H,17,18)
InChIKeyRWQOAWPEPRDDQT-UHFFFAOYSA-N
MW263.77 g/mol
LogP3.05
Rot. Bonds3

About N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylpropanamide

N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylpropanamide (PubChem CID 83149871) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylpropanamide.

Molecular Properties

Compound NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylpropanamide
PubChem CID83149871
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC NameN-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylpropanamide
SMILESCC(C(=O)NC1c2ccccc2CC1Cl)C1CC1
InChIInChI=1S/C15H18ClNO/c1-9(10-6-7-10)15(18)17-14-12-5-3-2-4-11(12)8-13(14)16/h2-5,9-10,13-14H,6-8H2,1H3,(H,17,18)
InChIKeyRWQOAWPEPRDDQT-UHFFFAOYSA-N
XLogP3.05
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 53.05
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-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylpropanamide?
The IUPAC name of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylpropanamide (CID 83149871) is N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylpropanamide.
What is the SMILES notation for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylpropanamide?
The canonical SMILES for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylpropanamide is CC(C(=O)NC1c2ccccc2CC1Cl)C1CC1.
What is the InChIKey of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylpropanamide?
The InChIKey is RWQOAWPEPRDDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c1-9(10-6-7-10)15(18)17-14-12-5-3-2-4-11(12)8-13(14)16/h2-5,9-10,13-14H,6-8H2,1H3,(H,17,18).
What are the key properties of N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylpropanamide?
N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylpropanamide has a molecular weight of 263.77 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-2,3-dihydro-1H-inden-1-yl)-2-cyclopropylpropanamide is sourced from PubChem (CID 83149871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).