N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide

C15H19ClN2O2 — CID 3024734

IUPACN-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(C)N2CCCC2)cc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-10(18-7-3-4-8-18)15(20)12-5-6-14(13(16)9-12)17-11(2)19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyMJKJGALYWSDOTP-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.97
Rot. Bonds4

About N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide

N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide (PubChem CID 3024734) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide
PubChem CID3024734
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC NameN-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(C(=O)C(C)N2CCCC2)cc1Cl
InChIInChI=1S/C15H19ClN2O2/c1-10(18-7-3-4-8-18)15(20)12-5-6-14(13(16)9-12)17-11(2)19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,19)
InChIKeyMJKJGALYWSDOTP-UHFFFAOYSA-N
XLogP2.97
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide?
The IUPAC name of N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide (CID 3024734) is N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide.
What is the SMILES notation for N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide?
The canonical SMILES for N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide is CC(=O)Nc1ccc(C(=O)C(C)N2CCCC2)cc1Cl.
What is the InChIKey of N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide?
The InChIKey is MJKJGALYWSDOTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c1-10(18-7-3-4-8-18)15(20)12-5-6-14(13(16)9-12)17-11(2)19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,19).
What are the key properties of N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide?
N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide has a molecular weight of 294.78 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-4-(2-pyrrolidin-1-ylpropanoyl)phenyl]acetamide is sourced from PubChem (CID 3024734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).