5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide

C17H14BrNO3 — CID 95367180

IUPAC5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide
SMILESO=C(NC[C@@H](O)c1cccc2ccccc12)c1ccc(Br)o1
InChIInChI=1S/C17H14BrNO3/c18-16-9-8-15(22-16)17(21)19-10-14(20)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,14,20H,10H2,(H,19,21)/t14-/m1/s1
InChIKeyRIDPQJMZXJPAGX-CQSZACIVSA-N
MW360.21 g/mol
LogP3.66
Rot. Bonds4

About 5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide

5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide (PubChem CID 95367180) has the molecular formula C17H14BrNO3 and a molecular weight of 360.21 g/mol. Its IUPAC name is 5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide
PubChem CID95367180
Molecular FormulaC17H14BrNO3
Molecular Weight360.21 g/mol
Exact Mass359.02
IUPAC Name5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide
SMILESO=C(NC[C@@H](O)c1cccc2ccccc12)c1ccc(Br)o1
InChIInChI=1S/C17H14BrNO3/c18-16-9-8-15(22-16)17(21)19-10-14(20)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,14,20H,10H2,(H,19,21)/t14-/m1/s1
InChIKeyRIDPQJMZXJPAGX-CQSZACIVSA-N
XLogP3.66
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(4-phenylphenyl)acetamide
CID 95367196
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 95367182
1-[(4-chlorophenyl)methyl]-3-(2-hydroxy-2-naphthalen-1-ylethyl)urea
CID 90497488
5-chloro-N-[2-(2-fluorophenyl)-2-hydroxyethyl]furan-2-carboxamide
CID 111566061
N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-3-methoxybenzamide
CID 95367144
N-(2-hydroxy-2-naphthalen-1-ylethyl)-3-methoxybenzamide
CID 56764104
5-bromo-N-(3-hydroxy-3-phenylpropyl)furan-2-carboxamide
CID 90499560
N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]-2-(trifluoromethyl)benzamide
CID 95367178
N-(2-hydroxy-2-naphthalen-1-ylethyl)-4-nitrobenzamide
CID 90497285
5-chloro-N-(2-hydroxy-2-naphthalen-1-ylethyl)thiophene-2-carboxamide
CID 166326558
2-bromo-N-[(2R)-2-hydroxy-2-naphthalen-1-ylethyl]-5-methoxybenzamide
CID 95367204
N-[(3S)-3-(1-benzofuran-2-yl)-3-hydroxypropyl]-5-bromofuran-2-carboxamide
CID 97414288

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide (CID 95367180) is 5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide is O=C(NC[C@@H](O)c1cccc2ccccc12)c1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide?
The InChIKey is RIDPQJMZXJPAGX-CQSZACIVSA-N. The full InChI is InChI=1S/C17H14BrNO3/c18-16-9-8-15(22-16)17(21)19-10-14(20)13-7-3-5-11-4-1-2-6-12(11)13/h1-9,14,20H,10H2,(H,19,21)/t14-/m1/s1.
What are the key properties of 5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide?
5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide has a molecular weight of 360.21 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2S)-2-hydroxy-2-naphthalen-1-ylethyl]furan-2-carboxamide is sourced from PubChem (CID 95367180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).