N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide

C13H12BrNO2 — CID 2919180

IUPACN-[1-(4-bromophenyl)ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1ccc(Br)cc1
InChIInChI=1S/C13H12BrNO2/c1-9(10-4-6-11(14)7-5-10)15-13(16)12-3-2-8-17-12/h2-9H,1H3,(H,15,16)
InChIKeyHOJFFNSNBWCCRS-UHFFFAOYSA-N
MW294.15 g/mol
LogP3.53
Rot. Bonds3

About N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide

N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide (PubChem CID 2919180) has the molecular formula C13H12BrNO2 and a molecular weight of 294.15 g/mol. Its IUPAC name is N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(4-bromophenyl)ethyl]furan-2-carboxamide
PubChem CID2919180
Molecular FormulaC13H12BrNO2
Molecular Weight294.15 g/mol
Exact Mass293.01
IUPAC NameN-[1-(4-bromophenyl)ethyl]furan-2-carboxamide
SMILESCC(NC(=O)c1ccco1)c1ccc(Br)cc1
InChIInChI=1S/C13H12BrNO2/c1-9(10-4-6-11(14)7-5-10)15-13(16)12-3-2-8-17-12/h2-9H,1H3,(H,15,16)
InChIKeyHOJFFNSNBWCCRS-UHFFFAOYSA-N
XLogP3.53
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-(4-bromophenyl)-2-(furan-2-carbonylamino)acetate
CID 94814289
N-[1-(1H-pyrazol-4-yl)ethyl]furan-2-carboxamide
CID 103855985
N-(1-thiophen-3-ylethyl)furan-2-carboxamide
CID 64590791
N-[1-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]furan-2-carboxamide
CID 4829465
N-[4-[1-(4-propan-2-ylphenyl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55388221
N-[(1S)-1-(4-bromophenyl)ethyl]-2-chlorofuran-3-carboxamide
CID 106832394
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 35276451
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]furan-2-carboxamide
CID 18200791
(2S)-2-(furan-2-carbonylamino)propanoic acid
CID 792932
N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]furan-2-carboxamide
CID 30402622
N-[3-methyl-1-oxo-1-(1-pyridin-4-ylethylamino)butan-2-yl]furan-2-carboxamide
CID 78775760
N'-(4-bromobenzoyl)furan-2-carbohydrazide
CID 687073

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide?
The IUPAC name of N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide (CID 2919180) is N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide?
The canonical SMILES for N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide is CC(NC(=O)c1ccco1)c1ccc(Br)cc1.
What is the InChIKey of N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide?
The InChIKey is HOJFFNSNBWCCRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrNO2/c1-9(10-4-6-11(14)7-5-10)15-13(16)12-3-2-8-17-12/h2-9H,1H3,(H,15,16).
What are the key properties of N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide?
N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide has a molecular weight of 294.15 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-bromophenyl)ethyl]furan-2-carboxamide is sourced from PubChem (CID 2919180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).