N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide

C13H16BrClN2O — CID 119753695

IUPACN-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCc1ccc(Br)cc1Cl
InChIInChI=1S/C13H16BrClN2O/c14-10-4-3-9(12(15)6-10)8-17-13(18)7-11-2-1-5-16-11/h3-4,6,11,16H,1-2,5,7-8H2,(H,17,18)
InChIKeyDXYBCGUMTYMJGX-UHFFFAOYSA-N
MW331.64 g/mol
LogP2.86
Rot. Bonds4

About N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide

N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119753695) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119753695
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESO=C(CC1CCCN1)NCc1ccc(Br)cc1Cl
InChIInChI=1S/C13H16BrClN2O/c14-10-4-3-9(12(15)6-10)8-17-13(18)7-11-2-1-5-16-11/h3-4,6,11,16H,1-2,5,7-8H2,(H,17,18)
InChIKeyDXYBCGUMTYMJGX-UHFFFAOYSA-N
XLogP2.86
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119780998
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119766537
N-[(4-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 61372532
2-(azocan-2-yl)-1-(4-bromo-2-chlorophenyl)ethanone
CID 114239637
N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 115160160
N-[(3-chloro-4-fluorophenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119707933
2-(2,4-dichlorophenyl)-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119509719
N-[(4-bromo-2-chlorophenyl)methyl]propanamide
CID 67191892
2-[2-(4-bromo-2-chlorophenyl)ethyl]piperidine
CID 104703723
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119744906
4-bromo-2-chloro-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114794001
N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119811513

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide (CID 119753695) is N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide is O=C(CC1CCCN1)NCc1ccc(Br)cc1Cl.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is DXYBCGUMTYMJGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c14-10-4-3-9(12(15)6-10)8-17-13(18)7-11-2-1-5-16-11/h3-4,6,11,16H,1-2,5,7-8H2,(H,17,18).
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide?
N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 331.64 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119753695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).