2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide

C15H14BrNO3 — CID 106853582

IUPAC2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide
SMILESO=C(c1ccoc1Br)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C15H14BrNO3/c16-14-13(6-7-20-14)15(19)17(11-4-5-11)9-10-2-1-3-12(18)8-10/h1-3,6-8,11,18H,4-5,9H2
InChIKeyGEOSHCYOBVTHQC-UHFFFAOYSA-N
MW336.19 g/mol
LogP3.55
Rot. Bonds4

About 2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide

2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide (PubChem CID 106853582) has the molecular formula C15H14BrNO3 and a molecular weight of 336.19 g/mol. Its IUPAC name is 2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide.

Molecular Properties

Compound Name2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide
PubChem CID106853582
Molecular FormulaC15H14BrNO3
Molecular Weight336.19 g/mol
Exact Mass335.02
IUPAC Name2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide
SMILESO=C(c1ccoc1Br)N(Cc1cccc(O)c1)C1CC1
InChIInChI=1S/C15H14BrNO3/c16-14-13(6-7-20-14)15(19)17(11-4-5-11)9-10-2-1-3-12(18)8-10/h1-3,6-8,11,18H,4-5,9H2
InChIKeyGEOSHCYOBVTHQC-UHFFFAOYSA-N
XLogP3.55
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.19
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(3-hydroxyphenyl)methyl]-N-methylfuran-3-carboxamide
CID 106853584
N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]benzamide
CID 64592060
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-2-methylpropanamide
CID 114328289
5-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]pyridine-2-carboxamide
CID 62954767
N-[(3-bromophenyl)methyl]-N-cyclopropyl-2-hydroxybenzamide
CID 112817182
4-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]-1-methylpyrrole-2-carboxamide
CID 60956180
2-bromo-N-cyclopropyl-N-prop-2-enylfuran-3-carboxamide
CID 106854213
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]acetamide
CID 60964232
2-amino-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]cyclopropane-1-carboxamide
CID 114997619
2-bromo-N-[(3-bromophenyl)methyl]-N-methylfuran-3-carboxamide
CID 106852279
2-bromo-N-(cyanomethyl)-N-cyclopentylfuran-3-carboxamide
CID 106852142
2-bromo-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)furan-3-carboxamide
CID 106855243

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide?
The IUPAC name of 2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide (CID 106853582) is 2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide.
What is the SMILES notation for 2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide?
The canonical SMILES for 2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide is O=C(c1ccoc1Br)N(Cc1cccc(O)c1)C1CC1.
What is the InChIKey of 2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide?
The InChIKey is GEOSHCYOBVTHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO3/c16-14-13(6-7-20-14)15(19)17(11-4-5-11)9-10-2-1-3-12(18)8-10/h1-3,6-8,11,18H,4-5,9H2.
What are the key properties of 2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide?
2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide has a molecular weight of 336.19 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-cyclopropyl-N-[(3-hydroxyphenyl)methyl]furan-3-carboxamide is sourced from PubChem (CID 106853582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).