2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide

C16H23ClN2O — CID 106609550

IUPAC2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESCC(C)N(CC1CCCN1)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-12(2)19(11-15-7-4-8-18-15)16(20)10-13-5-3-6-14(17)9-13/h3,5-6,9,12,15,18H,4,7-8,10-11H2,1-2H3
InChIKeyGJLIJRUSQQZALP-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.87
Rot. Bonds5

About 2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide

2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide (PubChem CID 106609550) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
PubChem CID106609550
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESCC(C)N(CC1CCCN1)C(=O)Cc1cccc(Cl)c1
InChIInChI=1S/C16H23ClN2O/c1-12(2)19(11-15-7-4-8-18-15)16(20)10-13-5-3-6-14(17)9-13/h3,5-6,9,12,15,18H,4,7-8,10-11H2,1-2H3
InChIKeyGJLIJRUSQQZALP-UHFFFAOYSA-N
XLogP2.87
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626682
2-(4-chlorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626635
2-phenyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626684
2-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609545
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626462
N-(piperidin-2-ylmethyl)-N-propan-2-yl-2-thiophen-3-ylacetamide
CID 106626703
N-(3-chlorophenyl)-2-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614400
N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylpiperidine-2-carboxamide
CID 107067692
2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610027
2-methylsulfonyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106610197
3-chloro-5-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626553
3-chloro-4-fluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609627

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide?
The IUPAC name of 2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide (CID 106609550) is 2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide is CC(C)N(CC1CCCN1)C(=O)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide?
The InChIKey is GJLIJRUSQQZALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-12(2)19(11-15-7-4-8-18-15)16(20)10-13-5-3-6-14(17)9-13/h3,5-6,9,12,15,18H,4,7-8,10-11H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide?
2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide has a molecular weight of 294.83 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide is sourced from PubChem (CID 106609550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).