3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide

C15H13Cl2NO2 — CID 114300062

IUPAC3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide
SMILESO=C(NC(CCl)c1ccccc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO2/c16-9-13(10-4-2-1-3-5-10)18-15(20)11-6-7-14(19)12(17)8-11/h1-8,13,19H,9H2,(H,18,20)
InChIKeyBGLDZRXBGBHDQD-UHFFFAOYSA-N
MW310.18 g/mol
LogP3.76
Rot. Bonds4

About 3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide

3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide (PubChem CID 114300062) has the molecular formula C15H13Cl2NO2 and a molecular weight of 310.18 g/mol. Its IUPAC name is 3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide
PubChem CID114300062
Molecular FormulaC15H13Cl2NO2
Molecular Weight310.18 g/mol
Exact Mass309.03
IUPAC Name3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide
SMILESO=C(NC(CCl)c1ccccc1)c1ccc(O)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO2/c16-9-13(10-4-2-1-3-5-10)18-15(20)11-6-7-14(19)12(17)8-11/h1-8,13,19H,9H2,(H,18,20)
InChIKeyBGLDZRXBGBHDQD-UHFFFAOYSA-N
XLogP3.76
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.18
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-hydroxy-N-[(1S)-2-[(S)-methylsulfinyl]-1-phenylethyl]benzamide
CID 95972136
(2S)-2-[(3-chloro-4-hydroxybenzoyl)amino]-2-phenylacetic acid
CID 29046743
N-(2-chloro-1-phenylethyl)-4-propan-2-ylbenzamide
CID 114300182
N-(2-bromo-1-phenylethyl)-3,4-dihydroxybenzamide
CID 107729033
4-bromo-N-(2-chloro-1-phenylethyl)-3-fluorobenzamide
CID 114300186
3-bromo-N-(2-chloro-1-phenylethyl)-4-methylbenzamide
CID 114300172
3,4-dihydroxy-N-(2-hydroxy-1-phenylethyl)benzamide
CID 103958252
N-(2-chloro-1-phenylethyl)-3,4,5-trifluorobenzamide
CID 114300143
2,5-dichloro-N-(2-chloro-1-phenylethyl)benzamide
CID 114300057
3-chloro-4-fluoro-N-[(1R)-2-hydroxy-1-phenylethyl]benzamide
CID 103944456
N-(2-bromo-1-phenylethyl)-3-chloro-4-methylbenzamide
CID 114311152
N-(2-chloro-1-phenylethyl)-2,4-dihydroxybenzamide
CID 107725945

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide?
The IUPAC name of 3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide (CID 114300062) is 3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide.
What is the SMILES notation for 3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide?
The canonical SMILES for 3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide is O=C(NC(CCl)c1ccccc1)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide?
The InChIKey is BGLDZRXBGBHDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO2/c16-9-13(10-4-2-1-3-5-10)18-15(20)11-6-7-14(19)12(17)8-11/h1-8,13,19H,9H2,(H,18,20).
What are the key properties of 3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide?
3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide has a molecular weight of 310.18 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-chloro-1-phenylethyl)-4-hydroxybenzamide is sourced from PubChem (CID 114300062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).