2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide

C15H15ClN2O2 — CID 43498535

IUPAC2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C15H15ClN2O2/c16-11-6-7-12(13(17)8-11)15(20)18-9-14(19)10-4-2-1-3-5-10/h1-8,14,19H,9,17H2,(H,18,20)
InChIKeyYJYULKVNWQQGEQ-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.39
Rot. Bonds4

About 2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide

2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide (PubChem CID 43498535) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide.

Molecular Properties

Compound Name2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
PubChem CID43498535
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
SMILESNc1cc(Cl)ccc1C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C15H15ClN2O2/c16-11-6-7-12(13(17)8-11)15(20)18-9-14(19)10-4-2-1-3-5-10/h1-8,14,19H,9,17H2,(H,18,20)
InChIKeyYJYULKVNWQQGEQ-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

4-chloro-2-fluoro-N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 51681217
3-amino-2-chloro-N-(2-hydroxy-2-phenylethyl)benzamide
CID 115930153
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]-2-fluorobenzamide
CID 167783306
2,5-dichloro-N-(2-hydroxy-2-phenylethyl)thiophene-3-carboxamide
CID 103604584
N-[2-(4-aminophenyl)-2-hydroxyethyl]-5-chloro-2-hydroxybenzamide
CID 43461425
2,4-dichloro-N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 110280061
1-(2-amino-4-chlorophenyl)-2-hydroxy-2-phenylethanone
CID 67942436
4-[(2-amino-4-chlorobenzoyl)amino]butanoic acid
CID 63110659
2-amino-4-chloro-N-[(3-chlorophenyl)methyl]benzamide
CID 61111340
N-(2-hydroxy-2-phenylethyl)-2,5-dimethylbenzamide
CID 43391272
2-amino-4-chloro-N-(3-hydroxybutyl)benzamide
CID 64927021
2-chloro-N-[2-(3,5-dichlorophenyl)-2-hydroxyethyl]benzamide
CID 111427451

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide?
The IUPAC name of 2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide (CID 43498535) is 2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide.
What is the SMILES notation for 2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide?
The canonical SMILES for 2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide is Nc1cc(Cl)ccc1C(=O)NCC(O)c1ccccc1.
What is the InChIKey of 2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide?
The InChIKey is YJYULKVNWQQGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-11-6-7-12(13(17)8-11)15(20)18-9-14(19)10-4-2-1-3-5-10/h1-8,14,19H,9,17H2,(H,18,20).
What are the key properties of 2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide?
2-amino-4-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 2-amino-4-chloro-N-(2-hydroxy-2-phenylethyl)benzamide is sourced from PubChem (CID 43498535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).