N-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide

C15H16BrNO2 — CID 2987393

IUPACN-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(C)o2)c(Br)c1
InChIInChI=1S/C15H16BrNO2/c1-10-3-7-14(13(16)9-10)17-15(18)8-6-12-5-4-11(2)19-12/h3-5,7,9H,6,8H2,1-2H3,(H,17,18)
InChIKeyUBZVNXILWWDCGM-UHFFFAOYSA-N
MW322.20 g/mol
LogP4.23
Rot. Bonds4

About N-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide

N-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide (PubChem CID 2987393) has the molecular formula C15H16BrNO2 and a molecular weight of 322.20 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide
PubChem CID2987393
Molecular FormulaC15H16BrNO2
Molecular Weight322.20 g/mol
Exact Mass321.04
IUPAC NameN-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide
SMILESCc1ccc(NC(=O)CCc2ccc(C)o2)c(Br)c1
InChIInChI=1S/C15H16BrNO2/c1-10-3-7-14(13(16)9-10)17-15(18)8-6-12-5-4-11(2)19-12/h3-5,7,9H,6,8H2,1-2H3,(H,17,18)
InChIKeyUBZVNXILWWDCGM-UHFFFAOYSA-N
XLogP4.23
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.20
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 754985
(2E)-N-(4-Acetylphenyl)-3-(5-ethyl-2-furyl)acrylamide
CID 7464118
N-(4-cyanophenyl)-3-(5-methylfuran-2-yl)propanamide
CID 729147
3-(5-ethylfuran-2-yl)-N-(4-ethylphenyl)propanamide
CID 942220
N-(2,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2865500
N-(4-ethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 2952210
{4-[3-(5-Methyl-furan-2-yl)-propionylamino]-phenyl}-acetic acid
CID 2988586
N-(3,5-dimethylphenyl)-3-(5-methylfuran-2-yl)propanamide
CID 6489243
N-(4-acetylphenyl)-3-(5-ethylfuran-2-yl)propanamide
CID 941877
(E)-N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 712905
N-{4-[3-(5-bromo-2-methoxyphenyl)acryloyl]phenyl}acetamide
CID 5738109
N-(3,4-dimethylphenyl)-3-(5-ethylfuran-2-yl)propanamide
CID 938834

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide (CID 2987393) is N-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide is Cc1ccc(NC(=O)CCc2ccc(C)o2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide?
The InChIKey is UBZVNXILWWDCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2/c1-10-3-7-14(13(16)9-10)17-15(18)8-6-12-5-4-11(2)19-12/h3-5,7,9H,6,8H2,1-2H3,(H,17,18).
What are the key properties of N-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide?
N-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide has a molecular weight of 322.20 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-3-(5-methylfuran-2-yl)propanamide is sourced from PubChem (CID 2987393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).