N-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide

C13H16Cl2N2O — CID 2740856

IUPACN-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCCC1
InChIInChI=1S/C13H16Cl2N2O/c1-9(17-4-2-3-5-17)13(18)16-12-7-10(14)6-11(15)8-12/h6-9H,2-5H2,1H3,(H,16,18)
InChIKeyKCMMFCBQZYILID-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.42
Rot. Bonds3

About N-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide

N-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide (PubChem CID 2740856) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
PubChem CID2740856
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC NameN-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide
SMILESCC(C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCCC1
InChIInChI=1S/C13H16Cl2N2O/c1-9(17-4-2-3-5-17)13(18)16-12-7-10(14)6-11(15)8-12/h6-9H,2-5H2,1H3,(H,16,18)
InChIKeyKCMMFCBQZYILID-UHFFFAOYSA-N
XLogP3.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide (CID 2740856) is N-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide is CC(C(=O)Nc1cc(Cl)cc(Cl)c1)N1CCCC1.
What is the InChIKey of N-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide?
The InChIKey is KCMMFCBQZYILID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-9(17-4-2-3-5-17)13(18)16-12-7-10(14)6-11(15)8-12/h6-9H,2-5H2,1H3,(H,16,18).
What are the key properties of N-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide?
N-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide has a molecular weight of 287.19 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 2740856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).