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

C14H17BrN2O2 — CID 107903159

IUPAC2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCC(Br)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C14H17BrN2O2/c1-10(15)13(18)16-12-6-4-11(5-7-12)14(19)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyQWZARIWERQNPCD-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.64
Rot. Bonds3

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

2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide (PubChem CID 107903159) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
PubChem CID107903159
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
SMILESCC(Br)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1
InChIInChI=1S/C14H17BrN2O2/c1-10(15)13(18)16-12-6-4-11(5-7-12)14(19)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3,(H,16,18)
InChIKeyQWZARIWERQNPCD-UHFFFAOYSA-N
XLogP2.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.64
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-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 61259063
2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 62855932
1-N,4-N-bis[4-(pyrrolidine-1-carbonyl)phenyl]benzene-1,4-dicarboxamide
CID 17196721
2-(4-methoxyphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 17196356
3-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide
CID 61259425
2-amino-N-[4-(pyrrolidine-1-carbonyl)phenyl]pentanamide;hydrochloride
CID 119278079
(2R)-2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 124838379
2-(2-methylphenoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 17196352
1-methyl-3-[4-(pyrrolidine-1-carbonyl)phenyl]thiourea
CID 17279697
azocan-1-yl-[4-(methylamino)phenyl]methanone
CID 62172991
2-amino-N-[4-(azepane-1-carbonyl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120667664
N-(4-tert-butylphenyl)-4-(pyrrolidine-1-carbonyl)benzamide
CID 109044308

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The IUPAC name of 2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide (CID 107903159) is 2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide.
What is the SMILES notation for 2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The canonical SMILES for 2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide is CC(Br)C(=O)Nc1ccc(C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
The InChIKey is QWZARIWERQNPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-10(15)13(18)16-12-6-4-11(5-7-12)14(19)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3,(H,16,18).
What are the key properties of 2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide?
2-bromo-N-[4-(pyrrolidine-1-carbonyl)phenyl]propanamide has a molecular weight of 325.21 g/mol, XLogP of 2.64, 3 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]propanamide is sourced from PubChem (CID 107903159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).