N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide

C16H24ClN3O — CID 106616029

IUPACN-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1)CC1CCCN1
InChIInChI=1S/C16H24ClN3O/c1-2-10-20(11-15-4-3-9-18-15)12-16(21)19-14-7-5-13(17)6-8-14/h5-8,15,18H,2-4,9-12H2,1H3,(H,19,21)
InChIKeyJHESYAONGFOPDZ-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.74
Rot. Bonds7

About N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide

N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide (PubChem CID 106616029) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
PubChem CID106616029
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC NameN-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
SMILESCCCN(CC(=O)Nc1ccc(Cl)cc1)CC1CCCN1
InChIInChI=1S/C16H24ClN3O/c1-2-10-20(11-15-4-3-9-18-15)12-16(21)19-14-7-5-13(17)6-8-14/h5-8,15,18H,2-4,9-12H2,1H3,(H,19,21)
InChIKeyJHESYAONGFOPDZ-UHFFFAOYSA-N
XLogP2.74
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615599
3-(4-chlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613335
N-(4-bromophenyl)-2-[ethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106615116
N-(4-fluorophenyl)-2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106617853
N-(4-chlorophenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119671239
N-tert-butyl-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616037
2-[2-hydroxyethyl(pyrrolidin-2-ylmethyl)amino]-N-(3-methylphenyl)acetamide
CID 106617904
2-[piperidin-2-ylmethyl(propyl)amino]-N-propylacetamide
CID 106636145
2-[propyl(pyrrolidin-2-ylmethyl)amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 106615942
N-(4-bromophenyl)-2-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 103519927
3-(2,5-dichlorophenyl)-1-propyl-1-(pyrrolidin-2-ylmethyl)urea
CID 106613330
N-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[piperidin-2-ylmethyl(propyl)amino]acetamide
CID 106635893

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide (CID 106616029) is N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide is CCCN(CC(=O)Nc1ccc(Cl)cc1)CC1CCCN1.
What is the InChIKey of N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide?
The InChIKey is JHESYAONGFOPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3O/c1-2-10-20(11-15-4-3-9-18-15)12-16(21)19-14-7-5-13(17)6-8-14/h5-8,15,18H,2-4,9-12H2,1H3,(H,19,21).
What are the key properties of N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide?
N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide has a molecular weight of 309.84 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[propyl(pyrrolidin-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 106616029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).