N-[(3-bromophenyl)-(3-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

C19H21BrClFN2O — CID 119810405

IUPACN-[(3-bromophenyl)-(3-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)NC(c1cccc(F)c1)c1cccc(Br)c1
InChIInChI=1S/C19H20BrFN2O.ClH/c20-15-6-1-4-13(10-15)19(14-5-2-7-16(21)11-14)23-18(24)12-17-8-3-9-22-17;/h1-2,4-7,10-11,17,19,22H,3,8-9,12H2,(H,23,24);1H
InChIKeyVFKPZPGCNICCKH-UHFFFAOYSA-N
MW427.75 g/mol
LogP4.36
Rot. Bonds5

About N-[(3-bromophenyl)-(3-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride

N-[(3-bromophenyl)-(3-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (PubChem CID 119810405) has the molecular formula C19H21BrClFN2O and a molecular weight of 427.75 g/mol. Its IUPAC name is N-[(3-bromophenyl)-(3-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[(3-bromophenyl)-(3-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
PubChem CID119810405
Molecular FormulaC19H21BrClFN2O
Molecular Weight427.75 g/mol
Exact Mass426.05
IUPAC NameN-[(3-bromophenyl)-(3-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
SMILESCl.O=C(CC1CCCN1)NC(c1cccc(F)c1)c1cccc(Br)c1
InChIInChI=1S/C19H20BrFN2O.ClH/c20-15-6-1-4-13(10-15)19(14-5-2-7-16(21)11-14)23-18(24)12-17-8-3-9-22-17;/h1-2,4-7,10-11,17,19,22H,3,8-9,12H2,(H,23,24);1H
InChIKeyVFKPZPGCNICCKH-UHFFFAOYSA-N
XLogP4.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.75
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119810409
N-[(3-bromophenyl)-(3-fluorophenyl)methyl]pyrrolidine-3-carboxamide
CID 119810410
N-[(5-fluoro-2-methoxyphenyl)-(3-methoxyphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119809463
N-(3-fluorophenyl)-2-pyrrolidin-2-ylacetamide
CID 61371784
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanol
CID 79560834
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119724717
N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119804609
1-(3-bromophenyl)-2-pyrrolidin-2-ylethanamine
CID 116936043
N-[1-(2-chloro-4-fluorophenyl)ethyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119795513
N-[(1R)-2-hydroxy-1-phenylethyl]-2-pyrrolidin-2-ylacetamide
CID 114010293
N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119804610
N-[3H-benzimidazol-5-yl(phenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119840634

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)-(3-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The IUPAC name of N-[(3-bromophenyl)-(3-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride (CID 119810405) is N-[(3-bromophenyl)-(3-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride.
What is the SMILES notation for N-[(3-bromophenyl)-(3-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The canonical SMILES for N-[(3-bromophenyl)-(3-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is Cl.O=C(CC1CCCN1)NC(c1cccc(F)c1)c1cccc(Br)c1.
What is the InChIKey of N-[(3-bromophenyl)-(3-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
The InChIKey is VFKPZPGCNICCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrFN2O.ClH/c20-15-6-1-4-13(10-15)19(14-5-2-7-16(21)11-14)23-18(24)12-17-8-3-9-22-17;/h1-2,4-7,10-11,17,19,22H,3,8-9,12H2,(H,23,24);1H.
What are the key properties of N-[(3-bromophenyl)-(3-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride?
N-[(3-bromophenyl)-(3-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride has a molecular weight of 427.75 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)-(3-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride is sourced from PubChem (CID 119810405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).