3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide

C15H15ClN2O2 — CID 115930153

IUPAC3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
SMILESNc1cccc(C(=O)NCC(O)c2ccccc2)c1Cl
InChIInChI=1S/C15H15ClN2O2/c16-14-11(7-4-8-12(14)17)15(20)18-9-13(19)10-5-2-1-3-6-10/h1-8,13,19H,9,17H2,(H,18,20)
InChIKeyBVMKICDHQNLTHB-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.39
Rot. Bonds4

About 3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide

3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide (PubChem CID 115930153) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide.

Molecular Properties

Compound Name3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
PubChem CID115930153
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
SMILESNc1cccc(C(=O)NCC(O)c2ccccc2)c1Cl
InChIInChI=1S/C15H15ClN2O2/c16-14-11(7-4-8-12(14)17)15(20)18-9-13(19)10-5-2-1-3-6-10/h1-8,13,19H,9,17H2,(H,18,20)
InChIKeyBVMKICDHQNLTHB-UHFFFAOYSA-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-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 43498535
3-chloro-N-(2-hydroxy-2-phenylethyl)-2-methylbenzamide
CID 107097712
2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
CID 103604584
2-[[(2R)-2-hydroxy-2-phenylethyl]carbamoyl]benzoate
CID 7189543
2-(2-aminophenyl)-N-(2-hydroxy-2-phenylethyl)acetamide
CID 43498529
4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 51681217
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
3-chloro-N-(2-hydroxy-2-phenylethyl)pyridine-4-carboxamide
CID 66482775
3-amino-2-chloro-N-(1-phenylpropan-2-yl)benzamide
CID 115930534
3-amino-2-chloro-N-prop-2-enylbenzamide
CID 112575204
N-[(2S)-2-hydroxy-2-phenylethyl]-2-pyrrol-1-ylbenzamide
CID 29139340
2-chloro-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]benzamide
CID 111427451

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide?
The IUPAC name of 3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide (CID 115930153) is 3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide.
What is the SMILES notation for 3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide?
The canonical SMILES for 3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide is Nc1cccc(C(=O)NCC(O)c2ccccc2)c1Cl.
What is the InChIKey of 3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide?
The InChIKey is BVMKICDHQNLTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-14-11(7-4-8-12(14)17)15(20)18-9-13(19)10-5-2-1-3-6-10/h1-8,13,19H,9,17H2,(H,18,20).
What are the key properties of 3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide?
3-amino-2-chloro-N-(2-hydroxy-2-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 3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide is sourced from PubChem (CID 115930153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).