2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide

C15H16BrNO3 — CID 106853383

IUPAC2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)c1ccoc1Br
InChIInChI=1S/C15H16BrNO3/c1-11-5-3-4-6-13(11)19-10-8-17(2)15(18)12-7-9-20-14(12)16/h3-7,9H,8,10H2,1-2H3
InChIKeyDIGQOHIGUVLXNH-UHFFFAOYSA-N
MW338.20 g/mol
LogP3.50
Rot. Bonds5

About 2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide

2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide (PubChem CID 106853383) has the molecular formula C15H16BrNO3 and a molecular weight of 338.20 g/mol. Its IUPAC name is 2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide
PubChem CID106853383
Molecular FormulaC15H16BrNO3
Molecular Weight338.20 g/mol
Exact Mass337.03
IUPAC Name2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)c1ccoc1Br
InChIInChI=1S/C15H16BrNO3/c1-11-5-3-4-6-13(11)19-10-8-17(2)15(18)12-7-9-20-14(12)16/h3-7,9H,8,10H2,1-2H3
InChIKeyDIGQOHIGUVLXNH-UHFFFAOYSA-N
XLogP3.50
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.20
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(3-bromopropyl)-N-methylfuran-3-carboxamide
CID 106441118
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119944826
4-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56560133
2,3-dimethyl-4-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-oxobutanoic acid
CID 103497587
2-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 54869692
N-methyl-N-[2-(2-methylphenoxy)ethyl]butanamide
CID 60675961
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-oxobutanamide
CID 54876653
N-methyl-N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide
CID 26979234
3-amino-N-methyl-N-[2-(2-methylphenoxy)ethyl]-2-phenylpropanamide
CID 119695605
N-methyl-N-[2-(2-methylphenoxy)ethyl]-1,3-benzodioxole-5-carboxamide
CID 26979272
2-anilino-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 119695619
N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38107143

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide (CID 106853383) is 2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide is Cc1ccccc1OCCN(C)C(=O)c1ccoc1Br.
What is the InChIKey of 2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide?
The InChIKey is DIGQOHIGUVLXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO3/c1-11-5-3-4-6-13(11)19-10-8-17(2)15(18)12-7-9-20-14(12)16/h3-7,9H,8,10H2,1-2H3.
What are the key properties of 2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide?
2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide has a molecular weight of 338.20 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide is sourced from PubChem (CID 106853383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).