1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide

C19H16BrNO2 — CID 10044629

IUPAC1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1ccc2ccccc2c1Br
InChIInChI=1S/C19H16BrNO2/c20-18-15-9-5-4-6-13(15)10-11-16(18)19(23)21-17(12-22)14-7-2-1-3-8-14/h1-11,17,22H,12H2,(H,21,23)/t17-/m1/s1
InChIKeyXFEYDSSPTJZFPL-QGZVFWFLSA-N
MW370.25 g/mol
LogP4.07
Rot. Bonds4

About 1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide

1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide (PubChem CID 10044629) has the molecular formula C19H16BrNO2 and a molecular weight of 370.25 g/mol. Its IUPAC name is 1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide.

Molecular Properties

Compound Name1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide
PubChem CID10044629
Molecular FormulaC19H16BrNO2
Molecular Weight370.25 g/mol
Exact Mass369.04
IUPAC Name1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide
SMILESO=C(N[C@H](CO)c1ccccc1)c1ccc2ccccc2c1Br
InChIInChI=1S/C19H16BrNO2/c20-18-15-9-5-4-6-13(15)10-11-16(18)19(23)21-17(12-22)14-7-2-1-3-8-14/h1-11,17,22H,12H2,(H,21,23)/t17-/m1/s1
InChIKeyXFEYDSSPTJZFPL-QGZVFWFLSA-N
XLogP4.07
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 103945177
N-[(1S)-2-hydroxy-1-phenylethyl]-1H-indole-7-carboxamide
CID 103945364
2,5-dibromo-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 104920633
2,4-diamino-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 107861769
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772690
2-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]pyridine-3-carboxamide
CID 103945105
4-chloro-2-hydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182530
N-(2-hydroxy-1-phenylethyl)-1H-indole-3-carboxamide
CID 63182576
methyl 2-[(1-bromonaphthalene-2-carbonyl)amino]propanoate
CID 66701306
N-(2-hydroxy-1-phenylethyl)benzamide
CID 14150746

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide?
The IUPAC name of 1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide (CID 10044629) is 1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide.
What is the SMILES notation for 1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide?
The canonical SMILES for 1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide is O=C(N[C@H](CO)c1ccccc1)c1ccc2ccccc2c1Br.
What is the InChIKey of 1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide?
The InChIKey is XFEYDSSPTJZFPL-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H16BrNO2/c20-18-15-9-5-4-6-13(15)10-11-16(18)19(23)21-17(12-22)14-7-2-1-3-8-14/h1-11,17,22H,12H2,(H,21,23)/t17-/m1/s1.
What are the key properties of 1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide?
1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide has a molecular weight of 370.25 g/mol, XLogP of 4.07, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide is sourced from PubChem (CID 10044629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).