2-(2-chloro-4-fluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide

C19H20ClFN2O2 — CID 119511544

IUPAC2-(2-chloro-4-fluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESO=C(NCC1CCCN1)C(Oc1ccc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C19H20ClFN2O2/c20-16-11-14(21)8-9-17(16)25-18(13-5-2-1-3-6-13)19(24)23-12-15-7-4-10-22-15/h1-3,5-6,8-9,11,15,18,22H,4,7,10,12H2,(H,23,24)
InChIKeySZPCXFUJHKVSMR-UHFFFAOYSA-N
MW362.83 g/mol
LogP3.47
Rot. Bonds6

About 2-(2-chloro-4-fluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide

2-(2-chloro-4-fluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide (PubChem CID 119511544) has the molecular formula C19H20ClFN2O2 and a molecular weight of 362.83 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
PubChem CID119511544
Molecular FormulaC19H20ClFN2O2
Molecular Weight362.83 g/mol
Exact Mass362.12
IUPAC Name2-(2-chloro-4-fluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
SMILESO=C(NCC1CCCN1)C(Oc1ccc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C19H20ClFN2O2/c20-16-11-14(21)8-9-17(16)25-18(13-5-2-1-3-6-13)19(24)23-12-15-7-4-10-22-15/h1-3,5-6,8-9,11,15,18,22H,4,7,10,12H2,(H,23,24)
InChIKeySZPCXFUJHKVSMR-UHFFFAOYSA-N
XLogP3.47
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.83
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119511547
2-(2-chloro-4-fluorophenoxy)-N-[2-(ethylamino)ethyl]-2-phenylacetamide;hydrochloride
CID 119506314
2-[ethyl(methyl)amino]-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119513409
2-phenyl-N-(piperidin-2-ylmethyl)propanamide
CID 114028770
2-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514159
2,4-difluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 62542167
2-(3-fluorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 62540928
2-methoxy-N-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106607603
2-phenoxy-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461962
2-chloro-6-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514188
4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119514717
2-(3-chloro-4-fluorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120943683

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide?
The IUPAC name of 2-(2-chloro-4-fluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide (CID 119511544) is 2-(2-chloro-4-fluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(2-chloro-4-fluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(2-chloro-4-fluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide is O=C(NCC1CCCN1)C(Oc1ccc(F)cc1Cl)c1ccccc1.
What is the InChIKey of 2-(2-chloro-4-fluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide?
The InChIKey is SZPCXFUJHKVSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O2/c20-16-11-14(21)8-9-17(16)25-18(13-5-2-1-3-6-13)19(24)23-12-15-7-4-10-22-15/h1-3,5-6,8-9,11,15,18,22H,4,7,10,12H2,(H,23,24).
What are the key properties of 2-(2-chloro-4-fluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide?
2-(2-chloro-4-fluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide has a molecular weight of 362.83 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide is sourced from PubChem (CID 119511544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).