N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide

C14H14BrNO2 — CID 113397917

IUPACN-[3-(3-bromopropyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1cccc(CCCBr)c1)c1ccoc1
InChIInChI=1S/C14H14BrNO2/c15-7-2-4-11-3-1-5-13(9-11)16-14(17)12-6-8-18-10-12/h1,3,5-6,8-10H,2,4,7H2,(H,16,17)
InChIKeyOSPHQZRWFVRUHE-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.86
Rot. Bonds5

About N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide

N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide (PubChem CID 113397917) has the molecular formula C14H14BrNO2 and a molecular weight of 308.18 g/mol. Its IUPAC name is N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-bromopropyl)phenyl]furan-3-carboxamide
PubChem CID113397917
Molecular FormulaC14H14BrNO2
Molecular Weight308.18 g/mol
Exact Mass307.02
IUPAC NameN-[3-(3-bromopropyl)phenyl]furan-3-carboxamide
SMILESO=C(Nc1cccc(CCCBr)c1)c1ccoc1
InChIInChI=1S/C14H14BrNO2/c15-7-2-4-11-3-1-5-13(9-11)16-14(17)12-6-8-18-10-12/h1,3,5-6,8-10H,2,4,7H2,(H,16,17)
InChIKeyOSPHQZRWFVRUHE-UHFFFAOYSA-N
XLogP3.86
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-methylphenyl)furan-3-carboxamide
CID 27007768
N-[3-(3-bromopropyl)phenyl]-2-methylpyridine-4-carboxamide
CID 106754268
N-(3-aminophenyl)furan-3-carboxamide
CID 16774426
N-[3-[[ethyl-(2,2,2-trifluoroacetyl)amino]methyl]phenyl]furan-3-carboxamide
CID 43068696
N-[3-(3-bromopropyl)phenyl]-2,3-dihydroxybenzamide
CID 114345344
N-[3-(3-bromopropyl)phenyl]-4-chloro-3-fluorobenzamide
CID 107994161
N-[3-(oxan-4-ylsulfanylmethyl)phenyl]furan-3-carboxamide
CID 71875712
N-[3-(diethylamino)phenyl]furan-3-carboxamide
CID 124926206
ethyl 3-(furan-3-carbonylamino)benzoate
CID 34142354
2,5-dibromo-N-[3-(3-bromopropyl)phenyl]thiophene-3-carboxamide
CID 107966238
N-[3-(3-bromopropyl)phenyl]-5-methylthiophene-2-carboxamide
CID 113397928
N-[3-(3-bromopropyl)phenyl]-4-fluoro-2-hydroxybenzamide
CID 107016950

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide?
The IUPAC name of N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide (CID 113397917) is N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide.
What is the SMILES notation for N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide?
The canonical SMILES for N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide is O=C(Nc1cccc(CCCBr)c1)c1ccoc1.
What is the InChIKey of N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide?
The InChIKey is OSPHQZRWFVRUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO2/c15-7-2-4-11-3-1-5-13(9-11)16-14(17)12-6-8-18-10-12/h1,3,5-6,8-10H,2,4,7H2,(H,16,17).
What are the key properties of N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide?
N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide has a molecular weight of 308.18 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-bromopropyl)phenyl]furan-3-carboxamide is sourced from PubChem (CID 113397917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).