5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide

C14H18BrNO3 — CID 107910768

IUPAC5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide
SMILESO=C(CCCCBr)Nc1cccc(C2OCCO2)c1
InChIInChI=1S/C14H18BrNO3/c15-7-2-1-6-13(17)16-12-5-3-4-11(10-12)14-18-8-9-19-14/h3-5,10,14H,1-2,6-9H2,(H,16,17)
InChIKeyCAAOSNOXCVWTOC-UHFFFAOYSA-N
MW328.21 g/mol
LogP3.24
Rot. Bonds6

About 5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide

5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide (PubChem CID 107910768) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide.

Molecular Properties

Compound Name5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide
PubChem CID107910768
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide
SMILESO=C(CCCCBr)Nc1cccc(C2OCCO2)c1
InChIInChI=1S/C14H18BrNO3/c15-7-2-1-6-13(17)16-12-5-3-4-11(10-12)14-18-8-9-19-14/h3-5,10,14H,1-2,6-9H2,(H,16,17)
InChIKeyCAAOSNOXCVWTOC-UHFFFAOYSA-N
XLogP3.24
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-cyclopropyl-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911980
3-(5-bromopentanoylamino)benzoic acid
CID 107908251
1-[3-(1,3-dioxolan-2-yl)phenyl]-3-methylurea
CID 13101482
7-bromo-N-phenylheptanamide
CID 11266084
5-bromo-N-[3-[(2-methoxyacetyl)amino]phenyl]pentanamide
CID 107908815
5-bromo-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 114014794
(2S)-2-amino-N-[3-(1,3-dioxolan-2-yl)phenyl]propanamide
CID 106911920
5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide
CID 107908922
5-bromo-N-[3-(cyclopropylsulfamoyl)phenyl]pentanamide
CID 107907884
4-chloro-N-[4-(1,3-dioxolan-2-yl)phenyl]butanamide
CID 106909816
5-bromo-N-(2,3-dihydro-1-benzofuran-5-yl)pentanamide
CID 107909036
5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pyridine-2-carboxamide
CID 106913106

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide?
The IUPAC name of 5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide (CID 107910768) is 5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide.
What is the SMILES notation for 5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide?
The canonical SMILES for 5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide is O=C(CCCCBr)Nc1cccc(C2OCCO2)c1.
What is the InChIKey of 5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide?
The InChIKey is CAAOSNOXCVWTOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c15-7-2-1-6-13(17)16-12-5-3-4-11(10-12)14-18-8-9-19-14/h3-5,10,14H,1-2,6-9H2,(H,16,17).
What are the key properties of 5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide?
5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide has a molecular weight of 328.21 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(1,3-dioxolan-2-yl)phenyl]pentanamide is sourced from PubChem (CID 107910768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).