5-[(3-bromophenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylfuran-2-carboxamide

C18H16BrNO4 — CID 55773842

IUPAC5-[(3-bromophenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylfuran-2-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1ccc(COc2cccc(Br)c2)o1
InChIInChI=1S/C18H16BrNO4/c1-20(11-15-6-3-9-22-15)18(21)17-8-7-16(24-17)12-23-14-5-2-4-13(19)10-14/h2-10H,11-12H2,1H3
InChIKeyJYBHPYZBBOUINR-UHFFFAOYSA-N
MW390.23 g/mol
LogP4.49
Rot. Bonds6

About 5-[(3-bromophenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylfuran-2-carboxamide

5-[(3-bromophenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylfuran-2-carboxamide (PubChem CID 55773842) has the molecular formula C18H16BrNO4 and a molecular weight of 390.23 g/mol. Its IUPAC name is 5-[(3-bromophenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound Name5-[(3-bromophenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylfuran-2-carboxamide
PubChem CID55773842
Molecular FormulaC18H16BrNO4
Molecular Weight390.23 g/mol
Exact Mass389.03
IUPAC Name5-[(3-bromophenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylfuran-2-carboxamide
SMILESCN(Cc1ccco1)C(=O)c1ccc(COc2cccc(Br)c2)o1
InChIInChI=1S/C18H16BrNO4/c1-20(11-15-6-3-9-22-15)18(21)17-8-7-16(24-17)12-23-14-5-2-4-13(19)10-14/h2-10H,11-12H2,1H3
InChIKeyJYBHPYZBBOUINR-UHFFFAOYSA-N
XLogP4.49
TPSA55.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]-methylamino]propanoic acid
CID 119209498
3-[[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]-ethylamino]propanoic acid
CID 119191630
3-bromo-N-(furan-2-ylmethyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42706159
2-amino-4-bromo-N-(furan-2-ylmethyl)-N-methylbenzamide
CID 79714273
[5-[(3-bromophenoxy)methyl]furan-2-yl]methanamine
CID 62459720
N-[(2-bromophenyl)methyl]-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 31215377
1-[5-[(3-bromophenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 62459188
N-benzyl-5-[(4-fluorophenoxy)methyl]-N-methylfuran-2-carboxamide
CID 51147848
N-(furan-2-ylmethyl)-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 19461074
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone
CID 120658923
N,N-dimethyl-5-(naphthalen-2-yloxymethyl)furan-2-carboxamide
CID 39001167
2-amino-N-(furan-2-ylmethyl)-5-methoxy-N-methylbenzamide
CID 54878485

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylfuran-2-carboxamide?
The IUPAC name of 5-[(3-bromophenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylfuran-2-carboxamide (CID 55773842) is 5-[(3-bromophenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for 5-[(3-bromophenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for 5-[(3-bromophenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylfuran-2-carboxamide is CN(Cc1ccco1)C(=O)c1ccc(COc2cccc(Br)c2)o1.
What is the InChIKey of 5-[(3-bromophenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylfuran-2-carboxamide?
The InChIKey is JYBHPYZBBOUINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO4/c1-20(11-15-6-3-9-22-15)18(21)17-8-7-16(24-17)12-23-14-5-2-4-13(19)10-14/h2-10H,11-12H2,1H3.
What are the key properties of 5-[(3-bromophenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylfuran-2-carboxamide?
5-[(3-bromophenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylfuran-2-carboxamide has a molecular weight of 390.23 g/mol, XLogP of 4.49, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 55773842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).