3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide

C14H18ClFN2O2 — CID 124613703

IUPAC3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
SMILESCN(C(=O)CCOc1ccc(F)cc1Cl)[C@@H]1CCNC1
InChIInChI=1S/C14H18ClFN2O2/c1-18(11-4-6-17-9-11)14(19)5-7-20-13-3-2-10(16)8-12(13)15/h2-3,8,11,17H,4-7,9H2,1H3/t11-/m1/s1
InChIKeySBGNUKQQEOBBPH-LLVKDONJSA-N
MW300.76 g/mol
LogP2.07
Rot. Bonds5

About 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide

3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide (PubChem CID 124613703) has the molecular formula C14H18ClFN2O2 and a molecular weight of 300.76 g/mol. Its IUPAC name is 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide.

Molecular Properties

Compound Name3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
PubChem CID124613703
Molecular FormulaC14H18ClFN2O2
Molecular Weight300.76 g/mol
Exact Mass300.10
IUPAC Name3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide
SMILESCN(C(=O)CCOc1ccc(F)cc1Cl)[C@@H]1CCNC1
InChIInChI=1S/C14H18ClFN2O2/c1-18(11-4-6-17-9-11)14(19)5-7-20-13-3-2-10(16)8-12(13)15/h2-3,8,11,17H,4-7,9H2,1H3/t11-/m1/s1
InChIKeySBGNUKQQEOBBPH-LLVKDONJSA-N
XLogP2.07
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.76
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441205
3-(2-chlorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442168
2-(2,4-dichlorophenoxy)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 82177023
3-(2,5-dimethylphenoxy)-N-methyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119551855
2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119529852
4-(3-fluorophenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119553657
4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119554526
4-(4-chloro-3-methylphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551230
3-(2,4-dichlorophenoxy)-N-piperidin-4-yl-N-propylpropanamide;hydrochloride
CID 119825395
2-(2-chloro-4-fluorophenoxy)-N-(3-methylpiperidin-4-yl)acetamide
CID 120557960
3-(4-chloro-2-nitrophenoxy)-N-methyl-N-piperidin-4-ylpropanamide
CID 119442830
3-(2-chloro-4-fluorophenoxy)propanoic acid
CID 16778332

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide?
The IUPAC name of 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide (CID 124613703) is 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide.
What is the SMILES notation for 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide?
The canonical SMILES for 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide is CN(C(=O)CCOc1ccc(F)cc1Cl)[C@@H]1CCNC1.
What is the InChIKey of 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide?
The InChIKey is SBGNUKQQEOBBPH-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18ClFN2O2/c1-18(11-4-6-17-9-11)14(19)5-7-20-13-3-2-10(16)8-12(13)15/h2-3,8,11,17H,4-7,9H2,1H3/t11-/m1/s1.
What are the key properties of 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide?
3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide has a molecular weight of 300.76 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-fluorophenoxy)-N-methyl-N-[(3R)-pyrrolidin-3-yl]propanamide is sourced from PubChem (CID 124613703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).