N-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide

C15H13Cl2NO3 — CID 110026063

IUPACN-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide
SMILESO=C(CC(O)c1ccc(Cl)cc1)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO3/c16-10-3-1-9(2-4-10)14(20)8-15(21)18-11-5-6-13(19)12(17)7-11/h1-7,14,19-20H,8H2,(H,18,21)
InChIKeyFBFDPASKRMIZFB-UHFFFAOYSA-N
MW326.18 g/mol
LogP3.76
Rot. Bonds4

About N-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide

N-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide (PubChem CID 110026063) has the molecular formula C15H13Cl2NO3 and a molecular weight of 326.18 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide
PubChem CID110026063
Molecular FormulaC15H13Cl2NO3
Molecular Weight326.18 g/mol
Exact Mass325.03
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide
SMILESO=C(CC(O)c1ccc(Cl)cc1)Nc1ccc(O)c(Cl)c1
InChIInChI=1S/C15H13Cl2NO3/c16-10-3-1-9(2-4-10)14(20)8-15(21)18-11-5-6-13(19)12(17)7-11/h1-7,14,19-20H,8H2,(H,18,21)
InChIKeyFBFDPASKRMIZFB-UHFFFAOYSA-N
XLogP3.76
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 167840355
(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[3-[(R)-methylsulfinyl]phenyl]propanamide
CID 97057298
3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide
CID 110009750
N-(3-chloro-4-hydroxyphenyl)-2-pyridin-4-ylacetamide
CID 64787327
3,3-dichloro-N-(3,4-dichlorophenyl)propanamide
CID 67062966
N-(3,4-dichlorophenyl)-3,3-diphenylpropanamide
CID 1019297
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199
(3R)-N-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)-3-hydroxypropanamide
CID 97060933
2-(4-chloroanilino)-N-(3,4-dichlorophenyl)acetamide
CID 54810250
1-(4-chlorophenyl)-2-(3,4-dichloroanilino)ethanol
CID 60724810
(3R)-N-(2-acetamido-5-methylphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide
CID 97117715
N'-(3,4-dichlorophenyl)-N-(4-propan-2-ylphenyl)propanediamide
CID 108954400

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide (CID 110026063) is N-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide is O=C(CC(O)c1ccc(Cl)cc1)Nc1ccc(O)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide?
The InChIKey is FBFDPASKRMIZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2NO3/c16-10-3-1-9(2-4-10)14(20)8-15(21)18-11-5-6-13(19)12(17)7-11/h1-7,14,19-20H,8H2,(H,18,21).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide?
N-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide has a molecular weight of 326.18 g/mol, XLogP of 3.76, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide is sourced from PubChem (CID 110026063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).