2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

C19H21ClF2N2O2 — CID 119511547

IUPAC2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)C(Oc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C19H20F2N2O2.ClH/c20-16-9-8-15(11-17(16)21)25-18(13-5-2-1-3-6-13)19(24)23-12-14-7-4-10-22-14;/h1-3,5-6,8-9,11,14,18,22H,4,7,10,12H2,(H,23,24);1H
InChIKeyPSUBSRQGFQBIKS-UHFFFAOYSA-N
MW382.84 g/mol
LogP3.37
Rot. Bonds6

About 2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119511547) has the molecular formula C19H21ClF2N2O2 and a molecular weight of 382.84 g/mol. Its IUPAC name is 2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
PubChem CID119511547
Molecular FormulaC19H21ClF2N2O2
Molecular Weight382.84 g/mol
Exact Mass382.13
IUPAC Name2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(NCC1CCCN1)C(Oc1ccc(F)c(F)c1)c1ccccc1
InChIInChI=1S/C19H20F2N2O2.ClH/c20-16-9-8-15(11-17(16)21)25-18(13-5-2-1-3-6-13)19(24)23-12-14-7-4-10-22-14;/h1-3,5-6,8-9,11,14,18,22H,4,7,10,12H2,(H,23,24);1H
InChIKeyPSUBSRQGFQBIKS-UHFFFAOYSA-N
XLogP3.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119511544
2-phenoxy-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461962
2-(3-chloro-4-fluorophenoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120943683
2-(3,4-difluorophenoxy)-N-[2-(methylamino)propyl]-2-phenylacetamide
CID 120830171
4-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)butanamide;hydrochloride
CID 119510877
cis-(1R,3S)-3-[[2-(3,4-difluorophenoxy)-2-phenylacetyl]amino]cyclopentane-1-carboxylic acid
CID 120678568
2-phenyl-N-(piperidin-2-ylmethyl)propanamide
CID 114028770
N-[2-(3,4-difluorophenoxy)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119778380
2-(3,4-difluorophenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]-2-phenylethanone
CID 119396272
2-[ethyl(methyl)amino]-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119513409
2-(3-chlorophenyl)-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119514159
(2S)-N-(cyclopropylmethyl)-2-(3,4-difluorophenoxy)propanamide
CID 95160340

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (CID 119511547) is 2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is Cl.O=C(NCC1CCCN1)C(Oc1ccc(F)c(F)c1)c1ccccc1.
What is the InChIKey of 2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is PSUBSRQGFQBIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N2O2.ClH/c20-16-9-8-15(11-17(16)21)25-18(13-5-2-1-3-6-13)19(24)23-12-14-7-4-10-22-14;/h1-3,5-6,8-9,11,14,18,22H,4,7,10,12H2,(H,23,24);1H.
What are the key properties of 2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 382.84 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenoxy)-2-phenyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119511547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).