5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide

C14H13BrClNO3 — CID 19463856

IUPAC5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
SMILESCCNC(=O)c1ccc(COc2ccc(Br)cc2Cl)o1
InChIInChI=1S/C14H13BrClNO3/c1-2-17-14(18)13-6-4-10(20-13)8-19-12-5-3-9(15)7-11(12)16/h3-7H,2,8H2,1H3,(H,17,18)
InChIKeyXHKGQCKZSQDNHZ-UHFFFAOYSA-N
MW358.62 g/mol
LogP4.02
Rot. Bonds5

About 5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide

5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide (PubChem CID 19463856) has the molecular formula C14H13BrClNO3 and a molecular weight of 358.62 g/mol. Its IUPAC name is 5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
PubChem CID19463856
Molecular FormulaC14H13BrClNO3
Molecular Weight358.62 g/mol
Exact Mass356.98
IUPAC Name5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
SMILESCCNC(=O)c1ccc(COc2ccc(Br)cc2Cl)o1
InChIInChI=1S/C14H13BrClNO3/c1-2-17-14(18)13-6-4-10(20-13)8-19-12-5-3-9(15)7-11(12)16/h3-7H,2,8H2,1H3,(H,17,18)
InChIKeyXHKGQCKZSQDNHZ-UHFFFAOYSA-N
XLogP4.02
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.62
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[(3,4-diethoxyphenyl)methyl]furan-2-carboxamide
CID 19463791
5-[(4-bromo-2-chlorophenoxy)methyl]-N-(2,3,4,5,6-pentafluorophenyl)furan-2-carboxamide
CID 19463738
5-[(4-bromo-2-chlorophenoxy)methyl]-N-(1-methylpiperidin-4-yl)furan-2-carboxamide
CID 19463799
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[2-(4-nitropyrazol-1-yl)ethyl]furan-2-carboxamide
CID 19281797
ethyl 2-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19463739
methyl 2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetate
CID 19456933
2-[[5-[(2,4-dichlorophenoxy)methyl]furan-2-carbonyl]amino]acetic acid
CID 126213765
5-[(4-bromo-2-chlorophenoxy)methyl]-N-[1-[(4-bromophenoxy)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19408811
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19463742
N-(1-benzylpyrazol-4-yl)-5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-carboxamide
CID 19397489
N-[[5-[(4-bromo-2-chlorophenoxy)methyl]furan-2-yl]methyl]-2-methylpropan-2-amine
CID 63496470

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide?
The IUPAC name of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide (CID 19463856) is 5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide.
What is the SMILES notation for 5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide?
The canonical SMILES for 5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide is CCNC(=O)c1ccc(COc2ccc(Br)cc2Cl)o1.
What is the InChIKey of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide?
The InChIKey is XHKGQCKZSQDNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrClNO3/c1-2-17-14(18)13-6-4-10(20-13)8-19-12-5-3-9(15)7-11(12)16/h3-7H,2,8H2,1H3,(H,17,18).
What are the key properties of 5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide?
5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide has a molecular weight of 358.62 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-2-chlorophenoxy)methyl]-N-ethylfuran-2-carboxamide is sourced from PubChem (CID 19463856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).