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

C14H19BrN2O — CID 119780998

IUPACN-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1cc(Br)ccc1CNC(=O)CC1CCCN1
InChIInChI=1S/C14H19BrN2O/c1-10-7-12(15)5-4-11(10)9-17-14(18)8-13-3-2-6-16-13/h4-5,7,13,16H,2-3,6,8-9H2,1H3,(H,17,18)
InChIKeyWEVRPMBPIDFZRR-UHFFFAOYSA-N
MW311.22 g/mol
LogP2.52
Rot. Bonds4

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

N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide (PubChem CID 119780998) has the molecular formula C14H19BrN2O and a molecular weight of 311.22 g/mol. Its IUPAC name is N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
PubChem CID119780998
Molecular FormulaC14H19BrN2O
Molecular Weight311.22 g/mol
Exact Mass310.07
IUPAC NameN-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
SMILESCc1cc(Br)ccc1CNC(=O)CC1CCCN1
InChIInChI=1S/C14H19BrN2O/c1-10-7-12(15)5-4-11(10)9-17-14(18)8-13-3-2-6-16-13/h4-5,7,13,16H,2-3,6,8-9H2,1H3,(H,17,18)
InChIKeyWEVRPMBPIDFZRR-UHFFFAOYSA-N
XLogP2.52
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-bromo-2-chlorophenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 119753695
N-[(2,5-dimethylphenyl)methyl]-2-pyrrolidin-2-ylacetamide
CID 115160160
N-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119766537
N-[(5-bromo-2-methylphenyl)methyl]-2-thiomorpholin-3-ylacetamide
CID 146134018
N-[[4-methyl-2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119811513
N-[(3-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119709536
N-[[2-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 61363866
4-bromo-N,2-dimethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106608037
N-[2-(2,6-dimethylphenoxy)ethyl]-2-pyrrolidin-2-ylacetamide
CID 119734952
N-[2-(4-bromophenyl)-2-methylpropyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119733957
N-[[3-fluoro-4-(hydroxymethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119744906
N-(3,4-dimethylphenyl)-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119670651

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide (CID 119780998) is N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide is Cc1cc(Br)ccc1CNC(=O)CC1CCCN1.
What is the InChIKey of N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is WEVRPMBPIDFZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O/c1-10-7-12(15)5-4-11(10)9-17-14(18)8-13-3-2-6-16-13/h4-5,7,13,16H,2-3,6,8-9H2,1H3,(H,17,18).
What are the key properties of N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide?
N-[(4-bromo-2-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 311.22 g/mol, XLogP of 2.52, 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-methylphenyl)methyl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 119780998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).