2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide

C15H19BrN2O2 — CID 62855932

IUPAC2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide
SMILESCCC(Br)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C15H19BrN2O2/c1-2-13(16)14(19)17-12-7-5-11(6-8-12)15(20)18-9-3-4-10-18/h5-8,13H,2-4,9-10H2,1H3,(H,17,19)
InChIKeyOYQIMUKSYUWROA-UHFFFAOYSA-N
MW339.23 g/mol
LogP3.03
Rot. Bonds4

About 2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide

2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide (PubChem CID 62855932) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is 2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide
PubChem CID62855932
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide
SMILESCCC(Br)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C15H19BrN2O2/c1-2-13(16)14(19)17-12-7-5-11(6-8-12)15(20)18-9-3-4-10-18/h5-8,13H,2-4,9-10H2,1H3,(H,17,19)
InChIKeyOYQIMUKSYUWROA-UHFFFAOYSA-N
XLogP3.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 53.03
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-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 107903159
N-[4-(azepan-1-yl)phenyl]-2-bromobutanamide
CID 62855929
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 61259063
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]pentanamide;hydrochloride
CID 119278079
2-cyano-N-[4-(piperidine-1-carbonyl)phenyl]pentanamide
CID 153387376
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
2-bromo-N-(4-bromophenyl)butanamide
CID 25219718
3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 61259425
ethyl 1-[4-(2-ethylbutanoylamino)benzoyl]piperidine-3-carboxylate
CID 17309221
N-[4-(2-bromobutanoyl)phenyl]-2-ethylbutanamide
CID 82258769
3-methylsulfonyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 134034714
(E)-N-[4-(piperidine-1-carbonyl)phenyl]pent-2-enamide
CID 134556387

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The IUPAC name of 2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide (CID 62855932) is 2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for 2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The canonical SMILES for 2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide is CCC(Br)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The InChIKey is OYQIMUKSYUWROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-2-13(16)14(19)17-12-7-5-11(6-8-12)15(20)18-9-3-4-10-18/h5-8,13H,2-4,9-10H2,1H3,(H,17,19).
What are the key properties of 2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide?
2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide has a molecular weight of 339.23 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 62855932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).