2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide

C15H21BrN2O — CID 114327805

IUPAC2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
SMILESCC(C)(Br)C(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C15H21BrN2O/c1-15(2,16)14(19)17-13-7-5-12(6-8-13)11-18-9-3-4-10-18/h5-8H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyOTPKNOURZYICGO-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.39
Rot. Bonds4

About 2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide

2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide (PubChem CID 114327805) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is 2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
PubChem CID114327805
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC Name2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
SMILESCC(C)(Br)C(=O)Nc1ccc(CN2CCCC2)cc1
InChIInChI=1S/C15H21BrN2O/c1-15(2,16)14(19)17-13-7-5-12(6-8-13)11-18-9-3-4-10-18/h5-8H,3-4,9-11H2,1-2H3,(H,17,19)
InChIKeyOTPKNOURZYICGO-UHFFFAOYSA-N
XLogP3.39
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.25
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 62836738
2-amino-2-ethyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]butanamide
CID 79813584
1,3-bis[4-(pyrrolidin-1-ylmethyl)phenyl]urea
CID 17464843
2,2-dimethyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]carbamothioyl]propanamide
CID 925579
2,2,2-trichloro-N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]acetamide
CID 108743657
2-methyl-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 935195
3-bromo-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 108739357
N-[4-[[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]methyl]phenyl]acetamide
CID 3793854
2,2-difluoro-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 103602575
2-(methylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 62639474
2-(propan-2-ylamino)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]acetamide
CID 60671103
N-[4-(pyrrolidin-1-ylmethyl)phenyl]pentanamide
CID 3292281

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The IUPAC name of 2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide (CID 114327805) is 2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for 2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide is CC(C)(Br)C(=O)Nc1ccc(CN2CCCC2)cc1.
What is the InChIKey of 2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
The InChIKey is OTPKNOURZYICGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-15(2,16)14(19)17-13-7-5-12(6-8-13)11-18-9-3-4-10-18/h5-8H,3-4,9-11H2,1-2H3,(H,17,19).
What are the key properties of 2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide?
2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide has a molecular weight of 325.25 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2-methyl-N-[4-(pyrrolidin-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 114327805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).