N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide

C14H18ClFN2O — CID 119795514

IUPACN-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCC(NC(=O)CC1CCCN1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H18ClFN2O/c1-9(12-5-4-10(16)7-13(12)15)18-14(19)8-11-3-2-6-17-11/h4-5,7,9,11,17H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyYNRQCVQSBDAMBF-UHFFFAOYSA-N
MW284.76 g/mol
LogP2.80
Rot. Bonds4

About N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide

N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119795514) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119795514
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC NameN-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide
SMILESCC(NC(=O)CC1CCCN1)c1ccc(F)cc1Cl
InChIInChI=1S/C14H18ClFN2O/c1-9(12-5-4-10(16)7-13(12)15)18-14(19)8-11-3-2-6-17-11/h4-5,7,9,11,17H,2-3,6,8H2,1H3,(H,18,19)
InChIKeyYNRQCVQSBDAMBF-UHFFFAOYSA-N
XLogP2.80
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119795513
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939548
N-[1-(2-fluoro-4,5-dimethoxyphenyl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119785383
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119729044
N-[4-fluoro-2-(propan-2-ylamino)phenyl]-2-pyrrolidin-2-ylacetamide
CID 119873541
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 61372761
2-pyrrolidin-2-yl-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]acetamide
CID 61364244
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119724717
2-pyrrolidin-2-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
CID 61366605
N-[1-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-2-pyrrolidin-2-ylacetamide
CID 119817198
2-chloro-5-fluoro-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 107527335
N-[(1S)-1-(furan-2-yl)ethyl]-2-pyrrolidin-2-ylacetamide
CID 81400921

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide (CID 119795514) is N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide is CC(NC(=O)CC1CCCN1)c1ccc(F)cc1Cl.
What is the InChIKey of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is YNRQCVQSBDAMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c1-9(12-5-4-10(16)7-13(12)15)18-14(19)8-11-3-2-6-17-11/h4-5,7,9,11,17H,2-3,6,8H2,1H3,(H,18,19).
What are the key properties of N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide?
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 284.76 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119795514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).