N-(3-aminophenyl)-5-bromo-N-propylfuran-2-carboxamide

C14H15BrN2O2 — CID 63229640

IUPACN-(3-aminophenyl)-5-bromo-N-propylfuran-2-carboxamide
SMILESCCCN(C(=O)c1ccc(Br)o1)c1cccc(N)c1
InChIInChI=1S/C14H15BrN2O2/c1-2-8-17(11-5-3-4-10(16)9-11)14(18)12-6-7-13(15)19-12/h3-7,9H,2,8,16H2,1H3
InChIKeyYYIJVEXXEXEFFS-UHFFFAOYSA-N
MW323.19 g/mol
LogP3.68
Rot. Bonds4

About N-(3-aminophenyl)-5-bromo-N-propylfuran-2-carboxamide

N-(3-aminophenyl)-5-bromo-N-propylfuran-2-carboxamide (PubChem CID 63229640) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is N-(3-aminophenyl)-5-bromo-N-propylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminophenyl)-5-bromo-N-propylfuran-2-carboxamide
PubChem CID63229640
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC NameN-(3-aminophenyl)-5-bromo-N-propylfuran-2-carboxamide
SMILESCCCN(C(=O)c1ccc(Br)o1)c1cccc(N)c1
InChIInChI=1S/C14H15BrN2O2/c1-2-8-17(11-5-3-4-10(16)9-11)14(18)12-6-7-13(15)19-12/h3-7,9H,2,8,16H2,1H3
InChIKeyYYIJVEXXEXEFFS-UHFFFAOYSA-N
XLogP3.68
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminophenyl)-5-ethyl-N-propylfuran-2-carboxamide
CID 79095437
N-(3-aminophenyl)-3,5-dibromo-N-propylbenzamide
CID 107971045
N-(3-aminophenyl)-5-chloro-N-ethylfuran-2-carboxamide
CID 106683233
N-(3-aminophenyl)-4-bromo-2-hydroxy-N-propylbenzamide
CID 63229866
N-(3-aminophenyl)-3-bromo-5-chloro-N-propylbenzamide
CID 107937520
N-(3-aminophenyl)-4-bromo-3-chloro-N-propylbenzamide
CID 81289017
1-(3-aminophenyl)-3-ethyl-1-propylurea
CID 63230299
N-(3-aminophenyl)-3,5-dichloro-N-propylbenzamide
CID 63230069
N-(3-aminophenyl)-3-iodo-N-propylbenzamide
CID 63229988
N-(3-aminophenyl)-4-methoxy-N-propylbenzamide
CID 63229900
N-(3-aminophenyl)-2,5-dichloro-N-propylbenzamide
CID 63229945
N-(3-aminophenyl)-2-(2-hydroxyphenyl)-N-propylacetamide
CID 80743723

Frequently Asked Questions

What is the IUPAC name of N-(3-aminophenyl)-5-bromo-N-propylfuran-2-carboxamide?
The IUPAC name of N-(3-aminophenyl)-5-bromo-N-propylfuran-2-carboxamide (CID 63229640) is N-(3-aminophenyl)-5-bromo-N-propylfuran-2-carboxamide.
What is the SMILES notation for N-(3-aminophenyl)-5-bromo-N-propylfuran-2-carboxamide?
The canonical SMILES for N-(3-aminophenyl)-5-bromo-N-propylfuran-2-carboxamide is CCCN(C(=O)c1ccc(Br)o1)c1cccc(N)c1.
What is the InChIKey of N-(3-aminophenyl)-5-bromo-N-propylfuran-2-carboxamide?
The InChIKey is YYIJVEXXEXEFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c1-2-8-17(11-5-3-4-10(16)9-11)14(18)12-6-7-13(15)19-12/h3-7,9H,2,8,16H2,1H3.
What are the key properties of N-(3-aminophenyl)-5-bromo-N-propylfuran-2-carboxamide?
N-(3-aminophenyl)-5-bromo-N-propylfuran-2-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminophenyl)-5-bromo-N-propylfuran-2-carboxamide is sourced from PubChem (CID 63229640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).