2-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide

C16H22ClFN2O — CID 106609545

IUPAC2-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESCC(C)N(CC1CCCN1)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H22ClFN2O/c1-11(2)20(10-12-5-4-8-19-12)16(21)9-13-14(17)6-3-7-15(13)18/h3,6-7,11-12,19H,4-5,8-10H2,1-2H3
InChIKeyUOFDKDPMCLDIBN-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.01
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide

2-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide (PubChem CID 106609545) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
PubChem CID106609545
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name2-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESCC(C)N(CC1CCCN1)C(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C16H22ClFN2O/c1-11(2)20(10-12-5-4-8-19-12)16(21)9-13-14(17)6-3-7-15(13)18/h3,6-7,11-12,19H,4-5,8-10H2,1-2H3
InChIKeyUOFDKDPMCLDIBN-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974055
2-(3-chlorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609550
2-(4-chlorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626635
2,6-dichloro-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626462
3-chloro-4-fluoro-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609627
2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626682
2-phenyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylacetamide
CID 106626684
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106622184
N-(2-bromoethyl)-2-(2-chloro-6-fluorophenyl)-N-propan-2-ylacetamide
CID 80666192
2-fluoro-3-methyl-N-(piperidin-2-ylmethyl)-N-propan-2-ylbenzamide
CID 106626455
N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide
CID 104974489
2-chloro-3-methyl-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106610027

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide (CID 106609545) is 2-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide is CC(C)N(CC1CCCN1)C(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide?
The InChIKey is UOFDKDPMCLDIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c1-11(2)20(10-12-5-4-8-19-12)16(21)9-13-14(17)6-3-7-15(13)18/h3,6-7,11-12,19H,4-5,8-10H2,1-2H3.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide?
2-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide has a molecular weight of 312.82 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide is sourced from PubChem (CID 106609545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).