N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide

C15H14ClNO3 — CID 107725945

IUPACN-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide
SMILESO=C(NC(CCl)c1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C15H14ClNO3/c16-9-13(10-4-2-1-3-5-10)17-15(20)12-7-6-11(18)8-14(12)19/h1-8,13,18-19H,9H2,(H,17,20)
InChIKeyOPHOAZRPDYAOLP-UHFFFAOYSA-N
MW291.73 g/mol
LogP2.81
Rot. Bonds4

About N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide

N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide (PubChem CID 107725945) has the molecular formula C15H14ClNO3 and a molecular weight of 291.73 g/mol. Its IUPAC name is N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide.

Molecular Properties

Compound NameN-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide
PubChem CID107725945
Molecular FormulaC15H14ClNO3
Molecular Weight291.73 g/mol
Exact Mass291.07
IUPAC NameN-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide
SMILESO=C(NC(CCl)c1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C15H14ClNO3/c16-9-13(10-4-2-1-3-5-10)17-15(20)12-7-6-11(18)8-14(12)19/h1-8,13,18-19H,9H2,(H,17,20)
InChIKeyOPHOAZRPDYAOLP-UHFFFAOYSA-N
XLogP2.81
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.73
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-1-phenylethyl)-3-hydroxy-2-methylbenzamide
CID 82830175
4-chloro-2-hydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 63182530
2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide
CID 114300057
2-chloro-N-(2-chloro-1-phenylethyl)-4-methylbenzamide
CID 106863896
2,5-dihydroxy-N-(1-phenylpropyl)benzamide
CID 107722884
N-(2-amino-1-phenylethyl)-2,5-dihydroxybenzamide
CID 107726326
N-(2-chloro-1-phenylethyl)-2-fluoro-4-methylbenzamide
CID 114300235
N-(2-chloro-1-phenylethyl)-2-ethylbenzamide
CID 114300081
3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide
CID 114300062
2-hydroxy-N-[(1R)-2-hydroxy-1-phenylethyl]-4-methoxybenzamide
CID 103944607
N-(2-amino-1-phenylethyl)-4-hydroxy-2-methylbenzamide
CID 107673314
N-(2-bromo-1-phenylethyl)-4-hydroxy-2-methylbenzamide
CID 107673091

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide?
The IUPAC name of N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide (CID 107725945) is N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide.
What is the SMILES notation for N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide?
The canonical SMILES for N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide is O=C(NC(CCl)c1ccccc1)c1ccc(O)cc1O.
What is the InChIKey of N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide?
The InChIKey is OPHOAZRPDYAOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3/c16-9-13(10-4-2-1-3-5-10)17-15(20)12-7-6-11(18)8-14(12)19/h1-8,13,18-19H,9H2,(H,17,20).
What are the key properties of N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide?
N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide has a molecular weight of 291.73 g/mol, XLogP of 2.81, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide is sourced from PubChem (CID 107725945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).