N-(4-bromo-3,5-dimethylphenyl)-3-pyrrolidin-3-ylpropanamide

C15H21BrN2O — CID 107574186

IUPACN-(4-bromo-3,5-dimethylphenyl)-3-pyrrolidin-3-ylpropanamide
SMILESCc1cc(NC(=O)CCC2CCNC2)cc(C)c1Br
InChIInChI=1S/C15H21BrN2O/c1-10-7-13(8-11(2)15(10)16)18-14(19)4-3-12-5-6-17-9-12/h7-8,12,17H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyBDGVHYGCXXBPJR-UHFFFAOYSA-N
MW325.25 g/mol
LogP3.39
Rot. Bonds4

About N-(4-bromo-3,5-dimethylphenyl)-3-pyrrolidin-3-ylpropanamide

N-(4-bromo-3,5-dimethylphenyl)-3-pyrrolidin-3-ylpropanamide (PubChem CID 107574186) has the molecular formula C15H21BrN2O and a molecular weight of 325.25 g/mol. Its IUPAC name is N-(4-bromo-3,5-dimethylphenyl)-3-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-3,5-dimethylphenyl)-3-pyrrolidin-3-ylpropanamide
PubChem CID107574186
Molecular FormulaC15H21BrN2O
Molecular Weight325.25 g/mol
Exact Mass324.08
IUPAC NameN-(4-bromo-3,5-dimethylphenyl)-3-pyrrolidin-3-ylpropanamide
SMILESCc1cc(NC(=O)CCC2CCNC2)cc(C)c1Br
InChIInChI=1S/C15H21BrN2O/c1-10-7-13(8-11(2)15(10)16)18-14(19)4-3-12-5-6-17-9-12/h7-8,12,17H,3-6,9H2,1-2H3,(H,18,19)
InChIKeyBDGVHYGCXXBPJR-UHFFFAOYSA-N
XLogP3.39
TPSA41.13 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-5-methylphenyl)-3-piperidin-4-ylpropanamide
CID 107583461
N-(3-aminophenyl)-3-pyrrolidin-3-ylpropanamide
CID 69171945
N-(2-bromo-3-chlorophenyl)-3-pyrrolidin-3-ylpropanamide
CID 103479444
N-(3,5-difluorophenyl)-3-piperidin-4-ylpropanamide
CID 62210143
N-(3,5-dimethoxyphenyl)-3-piperidin-4-ylpropanamide
CID 62210135
N-(3,5-dichloro-4-hydroxyphenyl)-3-piperidin-4-ylpropanamide
CID 107680294
N-(3-bromo-4-fluorophenyl)-3-piperidin-4-ylpropanamide
CID 115870611
N-(2-methyl-4-pyridinyl)-3-piperidin-3-ylpropanamide
CID 79241024
5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide
CID 66818039
N-(2-methylphenyl)-3-piperidin-4-ylpropanamide
CID 62210327
N-(4,6-dimethyl-2-pyridinyl)-3-piperidin-3-ylpropanamide
CID 114932254
N-(3,5-dimethylphenyl)-3-(3,5-dioxopyrazolidin-4-yl)propanamide
CID 110703727

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-3-pyrrolidin-3-ylpropanamide?
The IUPAC name of N-(4-bromo-3,5-dimethylphenyl)-3-pyrrolidin-3-ylpropanamide (CID 107574186) is N-(4-bromo-3,5-dimethylphenyl)-3-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for N-(4-bromo-3,5-dimethylphenyl)-3-pyrrolidin-3-ylpropanamide?
The canonical SMILES for N-(4-bromo-3,5-dimethylphenyl)-3-pyrrolidin-3-ylpropanamide is Cc1cc(NC(=O)CCC2CCNC2)cc(C)c1Br.
What is the InChIKey of N-(4-bromo-3,5-dimethylphenyl)-3-pyrrolidin-3-ylpropanamide?
The InChIKey is BDGVHYGCXXBPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O/c1-10-7-13(8-11(2)15(10)16)18-14(19)4-3-12-5-6-17-9-12/h7-8,12,17H,3-6,9H2,1-2H3,(H,18,19).
What are the key properties of N-(4-bromo-3,5-dimethylphenyl)-3-pyrrolidin-3-ylpropanamide?
N-(4-bromo-3,5-dimethylphenyl)-3-pyrrolidin-3-ylpropanamide has a molecular weight of 325.25 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3,5-dimethylphenyl)-3-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 107574186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).