N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-2-ylacetamide

C14H17BrF2N2O2 — CID 119766537

IUPACN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCc1cc(Br)ccc1OC(F)F
InChIInChI=1S/C14H17BrF2N2O2/c15-10-3-4-12(21-14(16)17)9(6-10)8-19-13(20)7-11-2-1-5-18-11/h3-4,6,11,14,18H,1-2,5,7-8H2,(H,19,20)
InChIKeyXEIQIIHZWXLAHE-UHFFFAOYSA-N
MW363.20 g/mol
LogP2.81
Rot. Bonds6

About N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-2-ylacetamide

N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119766537) has the molecular formula C14H17BrF2N2O2 and a molecular weight of 363.20 g/mol. Its IUPAC name is N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119766537
Molecular FormulaC14H17BrF2N2O2
Molecular Weight363.20 g/mol
Exact Mass362.04
IUPAC NameN-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCc1cc(Br)ccc1OC(F)F
InChIInChI=1S/C14H17BrF2N2O2/c15-10-3-4-12(21-14(16)17)9(6-10)8-19-13(20)7-11-2-1-5-18-11/h3-4,6,11,14,18H,1-2,5,7-8H2,(H,19,20)
InChIKeyXEIQIIHZWXLAHE-UHFFFAOYSA-N
XLogP2.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119753695
N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119780998
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-1-cyclopentylmethanamine
CID 43432520
4-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide
CID 119313649
N-[3-(difluoromethoxy)-4-methylphenyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119786758
3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]butanamide;hydrochloride
CID 119766532
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidine-2-carboxamide
CID 71985278
3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 119766513
3-amino-N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-methylbutanamide
CID 120500084
N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide
CID 119804610
N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935910
N-[2-(3-bromophenoxy)propyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119804609

Frequently Asked Questions

What is the IUPAC name of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-2-ylacetamide (CID 119766537) is N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)NCc1cc(Br)ccc1OC(F)F.
What is the InChIKey of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is XEIQIIHZWXLAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrF2N2O2/c15-10-3-4-12(21-14(16)17)9(6-10)8-19-13(20)7-11-2-1-5-18-11/h3-4,6,11,14,18H,1-2,5,7-8H2,(H,19,20).
What are the key properties of N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-2-ylacetamide?
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 363.20 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119766537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).