4-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]benzenecarboximidate

C21H17ClNO2- — CID 86750727

IUPAC4-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]benzenecarboximidate
SMILES[O-]/C(=N\C[C@H](O)c1ccccc1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H18ClNO2/c22-19-12-10-16(11-13-19)15-6-8-18(9-7-15)21(25)23-14-20(24)17-4-2-1-3-5-17/h1-13,20,24H,14H2,(H,23,25)/p-1/t20-/m0/s1
InChIKeyJIFFCAVZPYJUDS-FQEVSTJZSA-M
MW350.83 g/mol
LogP3.85
Rot. Bonds5

About 4-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]benzenecarboximidate

4-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]benzenecarboximidate (PubChem CID 86750727) has the molecular formula C21H17ClNO2- and a molecular weight of 350.83 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]benzenecarboximidate.

Molecular Properties

Compound Name4-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]benzenecarboximidate
PubChem CID86750727
Molecular FormulaC21H17ClNO2-
Molecular Weight350.83 g/mol
Exact Mass350.10
IUPAC Name4-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]benzenecarboximidate
SMILES[O-]/C(=N\C[C@H](O)c1ccccc1)c1ccc(-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H18ClNO2/c22-19-12-10-16(11-13-19)15-6-8-18(9-7-15)21(25)23-14-20(24)17-4-2-1-3-5-17/h1-13,20,24H,14H2,(H,23,25)/p-1/t20-/m0/s1
InChIKeyJIFFCAVZPYJUDS-FQEVSTJZSA-M
XLogP3.85
TPSA55.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.83
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)selanyl-1-phenylethanol
CID 134857500
1-(4-chlorophenyl)-2-phenylethanol
CID 10966396
2-[bis(methylsulfanyl)methylideneamino]-1-phenylethanol
CID 101052436
4-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-phenylacetyl]benzamide
CID 22872207
1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol
CID 85437581
(1S,3R)-3-(4-chloroanilino)-1,3-diphenylpropan-1-ol
CID 129396698
2-anilino-1-(4-chlorophenyl)ethanol
CID 13416404
4-chloro-N-[(1R,3S)-3-hydroxy-1,3-diphenylpropyl]benzamide
CID 11024937
2-bromo-1-(4-phenylphenyl)ethanol
CID 13479157
(1S)-2-bromo-1-(4-phenylphenyl)ethanol
CID 13479158
2-[2-(4-chlorophenyl)-2-hydroxyethyl]-1-ethyl-3-(2-phenoxyethyl)guanidine;hydroiodide
CID 111005756
(1R)-2-azido-1-(4-phenylphenyl)ethanol
CID 83092866

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]benzenecarboximidate?
The IUPAC name of 4-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]benzenecarboximidate (CID 86750727) is 4-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]benzenecarboximidate.
What is the SMILES notation for 4-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]benzenecarboximidate?
The canonical SMILES for 4-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]benzenecarboximidate is [O-]/C(=N\C[C@H](O)c1ccccc1)c1ccc(-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]benzenecarboximidate?
The InChIKey is JIFFCAVZPYJUDS-FQEVSTJZSA-M. The full InChI is InChI=1S/C21H18ClNO2/c22-19-12-10-16(11-13-19)15-6-8-18(9-7-15)21(25)23-14-20(24)17-4-2-1-3-5-17/h1-13,20,24H,14H2,(H,23,25)/p-1/t20-/m0/s1.
What are the key properties of 4-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]benzenecarboximidate?
4-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]benzenecarboximidate has a molecular weight of 350.83 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-phenylethyl]benzenecarboximidate is sourced from PubChem (CID 86750727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).