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

C19H15BrClNO — CID 10023201

IUPAC1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboximidoyl chloride
SMILESOC[C@@H](/N=C(\Cl)c1ccc2ccccc2c1Br)c1ccccc1
InChIInChI=1S/C19H15BrClNO/c20-18-15-9-5-4-6-13(15)10-11-16(18)19(21)22-17(12-23)14-7-2-1-3-8-14/h1-11,17,23H,12H2/b22-19-/t17-/m1/s1
InChIKeyNRSYSJNQGNMIMS-LLWUOSFCSA-N
MW388.69 g/mol
LogP5.32
Rot. Bonds4

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

1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboximidoyl chloride (PubChem CID 10023201) has the molecular formula C19H15BrClNO and a molecular weight of 388.69 g/mol. Its IUPAC name is 1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboximidoyl chloride.

Molecular Properties

Compound Name1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboximidoyl chloride
PubChem CID10023201
Molecular FormulaC19H15BrClNO
Molecular Weight388.69 g/mol
Exact Mass387.00
IUPAC Name1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboximidoyl chloride
SMILESOC[C@@H](/N=C(\Cl)c1ccc2ccccc2c1Br)c1ccccc1
InChIInChI=1S/C19H15BrClNO/c20-18-15-9-5-4-6-13(15)10-11-16(18)19(21)22-17(12-23)14-7-2-1-3-8-14/h1-11,17,23H,12H2/b22-19-/t17-/m1/s1
InChIKeyNRSYSJNQGNMIMS-LLWUOSFCSA-N
XLogP5.32
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.69
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboxamide
CID 10044629
[(1S,2S)-2-(1-bromonaphthalene-2-carbonyl)oxy-1,2-diphenylethyl] 1-bromonaphthalene-2-carboxylate
CID 13312305
2-(1-bromonaphthalen-2-yl)oxy-2-phenylacetyl chloride
CID 154151548
1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol
CID 136843980
1-bromo-2-phenylnaphthalene
CID 10956972
(E)-2-(1-bromonaphthalen-2-yl)-3-phenylprop-2-enoic acid
CID 50989849
2-[(1-bromonaphthalene-2-carbonyl)amino]-2-methylbutanoic acid
CID 174546235
2-[(1R)-2-hydroxy-1-phenylethyl]-1,3-di(propan-2-yl)guanidine
CID 10825467
[(4S,5S)-5-[(1-bromonaphthalene-2-carbonyl)oxymethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 1-bromonaphthalene-2-carboxylate
CID 13312309
2-anthracen-9-yl-2-phenylethanol
CID 87369453
2-[1-(4-chlorophenyl)-2-hydroxyethyl]guanidine
CID 130927020
[2-(1-bromonaphthalen-2-yl)oxy-4-chlorophenyl]methanol
CID 114846123

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboximidoyl chloride?
The IUPAC name of 1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboximidoyl chloride (CID 10023201) is 1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboximidoyl chloride.
What is the SMILES notation for 1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboximidoyl chloride?
The canonical SMILES for 1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboximidoyl chloride is OC[C@@H](/N=C(\Cl)c1ccc2ccccc2c1Br)c1ccccc1.
What is the InChIKey of 1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboximidoyl chloride?
The InChIKey is NRSYSJNQGNMIMS-LLWUOSFCSA-N. The full InChI is InChI=1S/C19H15BrClNO/c20-18-15-9-5-4-6-13(15)10-11-16(18)19(21)22-17(12-23)14-7-2-1-3-8-14/h1-11,17,23H,12H2/b22-19-/t17-/m1/s1.
What are the key properties of 1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboximidoyl chloride?
1-bromo-N-[(1S)-2-hydroxy-1-phenylethyl]naphthalene-2-carboximidoyl chloride has a molecular weight of 388.69 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 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-carboximidoyl chloride is sourced from PubChem (CID 10023201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).