5-bromo-N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoyl]phenyl]furan-2-carboxamide

C18H15BrN2O5 — CID 78897428

IUPAC5-bromo-N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NCC(O)c1ccco1)c1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C18H15BrN2O5/c19-16-7-6-15(26-16)18(24)21-12-4-1-3-11(9-12)17(23)20-10-13(22)14-5-2-8-25-14/h1-9,13,22H,10H2,(H,20,23)(H,21,24)
InChIKeyRLTXWWRQCBFUFX-UHFFFAOYSA-N
MW419.23 g/mol
LogP3.35
Rot. Bonds6

About 5-bromo-N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoyl]phenyl]furan-2-carboxamide

5-bromo-N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 78897428) has the molecular formula C18H15BrN2O5 and a molecular weight of 419.23 g/mol. Its IUPAC name is 5-bromo-N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoyl]phenyl]furan-2-carboxamide
PubChem CID78897428
Molecular FormulaC18H15BrN2O5
Molecular Weight419.23 g/mol
Exact Mass418.02
IUPAC Name5-bromo-N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoyl]phenyl]furan-2-carboxamide
SMILESO=C(NCC(O)c1ccco1)c1cccc(NC(=O)c2ccc(Br)o2)c1
InChIInChI=1S/C18H15BrN2O5/c19-16-7-6-15(26-16)18(24)21-12-4-1-3-11(9-12)17(23)20-10-13(22)14-5-2-8-25-14/h1-9,13,22H,10H2,(H,20,23)(H,21,24)
InChIKeyRLTXWWRQCBFUFX-UHFFFAOYSA-N
XLogP3.35
TPSA104.71 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.23
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 9323689
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CID 1365371
3-bromo-N-[4-[2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-2-oxoethyl]phenyl]benzamide
CID 78897431
N-[3-(2-hydroxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 78897732
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(methanesulfonamido)benzamide
CID 78868922
5-bromo-N-[3-[3-(furan-2-ylmethoxy)propylcarbamoyl]phenyl]furan-2-carboxamide
CID 55794211
5-bromo-N-[3-[(5-bromofuran-2-carbonyl)amino]phenyl]furan-2-carboxamide
CID 3460668
5-bromo-N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]carbamoyl]phenyl]furan-2-carboxamide
CID 55770830
5-bromo-N-[3-[(4-fluorophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 26158861
5-bromo-N-(3-carbamothioylphenyl)furan-2-carboxamide
CID 24691295
5-bromo-N-[3-[2-(4-methylpiperazin-1-yl)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 112832556
5-bromo-N-[3-[(2-propan-2-yloxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55908761

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoyl]phenyl]furan-2-carboxamide (CID 78897428) is 5-bromo-N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoyl]phenyl]furan-2-carboxamide is O=C(NCC(O)c1ccco1)c1cccc(NC(=O)c2ccc(Br)o2)c1.
What is the InChIKey of 5-bromo-N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is RLTXWWRQCBFUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O5/c19-16-7-6-15(26-16)18(24)21-12-4-1-3-11(9-12)17(23)20-10-13(22)14-5-2-8-25-14/h1-9,13,22H,10H2,(H,20,23)(H,21,24).
What are the key properties of 5-bromo-N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoyl]phenyl]furan-2-carboxamide?
5-bromo-N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 419.23 g/mol, XLogP of 3.35, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 78897428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).