2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide

C15H15ClN2O2 — CID 107861897

IUPAC2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
SMILESNc1c(Cl)cccc1C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C15H15ClN2O2/c16-12-8-4-7-11(14(12)17)15(20)18-13(9-19)10-5-2-1-3-6-10/h1-8,13,19H,9,17H2,(H,18,20)/t13-/m0/s1
InChIKeyLQFBEWSVTJAREW-ZDUSSCGKSA-N
MW290.75 g/mol
LogP2.39
Rot. Bonds4

About 2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide

2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide (PubChem CID 107861897) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide.

Molecular Properties

Compound Name2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
PubChem CID107861897
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
SMILESNc1c(Cl)cccc1C(=O)N[C@@H](CO)c1ccccc1
InChIInChI=1S/C15H15ClN2O2/c16-12-8-4-7-11(14(12)17)15(20)18-13(9-19)10-5-2-1-3-6-10/h1-8,13,19H,9,17H2,(H,18,20)/t13-/m0/s1
InChIKeyLQFBEWSVTJAREW-ZDUSSCGKSA-N
XLogP2.39
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 39374837
2-chloro-N-[1-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110004367
3-amino-2-hydroxy-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 58736733
2-amino-3-chloro-N-(1-phenylethyl)benzamide
CID 82546896
2-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]-3-methylbenzamide
CID 103945018
2-amino-3-chloro-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]benzamide
CID 107860587
2-fluoro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 3315693
5-bromo-2-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103772690
N-[(1R)-2-hydroxy-1-phenylethyl]-2-iodobenzamide
CID 103772803
4-chloro-N-[(1S)-2-hydroxy-1-phenylethyl]benzamide
CID 1480121
2-amino-3-chloro-N-(2-phenylpropyl)benzamide
CID 115540226
3-amino-4-chloro-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63184761

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
The IUPAC name of 2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide (CID 107861897) is 2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide.
What is the SMILES notation for 2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
The canonical SMILES for 2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide is Nc1c(Cl)cccc1C(=O)N[C@@H](CO)c1ccccc1.
What is the InChIKey of 2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
The InChIKey is LQFBEWSVTJAREW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-12-8-4-7-11(14(12)17)15(20)18-13(9-19)10-5-2-1-3-6-10/h1-8,13,19H,9,17H2,(H,18,20)/t13-/m0/s1.
What are the key properties of 2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide?
2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide has a molecular weight of 290.75 g/mol, XLogP of 2.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-chloro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide is sourced from PubChem (CID 107861897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).