N-(4-bromophenyl)-3-(5-ethylfuran-2-yl)propanamide

C15H16BrNO2 — CID 2214520

IUPACN-(4-bromophenyl)-3-(5-ethylfuran-2-yl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2ccc(Br)cc2)o1
InChIInChI=1S/C15H16BrNO2/c1-2-13-7-8-14(19-13)9-10-15(18)17-12-5-3-11(16)4-6-12/h3-8H,2,9-10H2,1H3,(H,17,18)
InChIKeyHOHXKANRNGMGBN-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.18
Rot. Bonds5

About N-(4-bromophenyl)-3-(5-ethylfuran-2-yl)propanamide

N-(4-bromophenyl)-3-(5-ethylfuran-2-yl)propanamide (PubChem CID 2214520) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(5-ethylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(5-ethylfuran-2-yl)propanamide
PubChem CID2214520
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC NameN-(4-bromophenyl)-3-(5-ethylfuran-2-yl)propanamide
SMILESCCc1ccc(CCC(=O)Nc2ccc(Br)cc2)o1
InChIInChI=1S/C15H16BrNO2/c1-2-13-7-8-14(19-13)9-10-15(18)17-12-5-3-11(16)4-6-12/h3-8H,2,9-10H2,1H3,(H,17,18)
InChIKeyHOHXKANRNGMGBN-UHFFFAOYSA-N
XLogP4.18
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 565664
N-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 754985
3-(5-ethylfuran-2-yl)-N-(4-ethylphenyl)propanamide
CID 942220
N-(4-chlorophenyl)-3-(5-ethylfuran-2-yl)propanamide
CID 942336
N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2865500
3-(5-methylfuran-2-yl)-N-(4-nitrophenyl)propanamide
CID 2887620
N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2952210
N-[4-(dimethylamino)phenyl]-3-(5-methylfuran-2-yl)propanamide
CID 2981957
N-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2987393
N-(3,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 6489243
(2E)-N-(3-bromophenyl)-2-cyano-3-(5-methylfuran-2-yl)prop-2-enamide
CID 729760
N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)propanamide
CID 941877

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(5-ethylfuran-2-yl)propanamide?
The IUPAC name of N-(4-bromophenyl)-3-(5-ethylfuran-2-yl)propanamide (CID 2214520) is N-(4-bromophenyl)-3-(5-ethylfuran-2-yl)propanamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(5-ethylfuran-2-yl)propanamide?
The canonical SMILES for N-(4-bromophenyl)-3-(5-ethylfuran-2-yl)propanamide is CCc1ccc(CCC(=O)Nc2ccc(Br)cc2)o1.
What is the InChIKey of N-(4-bromophenyl)-3-(5-ethylfuran-2-yl)propanamide?
The InChIKey is HOHXKANRNGMGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-2-13-7-8-14(19-13)9-10-15(18)17-12-5-3-11(16)4-6-12/h3-8H,2,9-10H2,1H3,(H,17,18).
What are the key properties of N-(4-bromophenyl)-3-(5-ethylfuran-2-yl)propanamide?
N-(4-bromophenyl)-3-(5-ethylfuran-2-yl)propanamide has a molecular weight of 322.20 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(5-ethylfuran-2-yl)propanamide is sourced from PubChem (CID 2214520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).