3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide

C16H16ClNO3 — CID 110009750

IUPAC3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide
SMILESCc1cccc(O)c1NC(=O)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO3/c1-10-3-2-4-13(19)16(10)18-15(21)9-14(20)11-5-7-12(17)8-6-11/h2-8,14,19-20H,9H2,1H3,(H,18,21)
InChIKeySGOYYSFODITYQA-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.42
Rot. Bonds4

About 3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide

3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide (PubChem CID 110009750) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide
PubChem CID110009750
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide
SMILESCc1cccc(O)c1NC(=O)CC(O)c1ccc(Cl)cc1
InChIInChI=1S/C16H16ClNO3/c1-10-3-2-4-13(19)16(10)18-15(21)9-14(20)11-5-7-12(17)8-6-11/h2-8,14,19-20H,9H2,1H3,(H,18,21)
InChIKeySGOYYSFODITYQA-UHFFFAOYSA-N
XLogP3.42
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-N-(2-hydroxy-6-methylphenyl)-3-phenylpropanamide
CID 110009743
N-(3-chloro-4-hydroxyphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide
CID 110026063
(3R)-3-(4-chlorophenyl)-3-hydroxy-N-[3-[(R)-methylsulfinyl]phenyl]propanamide
CID 97057298
(3R)-N-(2-acetamido-5-methylphenyl)-3-(4-chlorophenyl)-3-hydroxypropanamide
CID 97117715
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[2-(2,6-dimethylanilino)-2-oxoethyl]acetamide
CID 9335096
3,3-difluoro-N-(2-hydroxy-6-methylphenyl)butanamide
CID 154754567
[(R)-(4-chlorophenyl)-phenylmethyl]-[2-(2,6-dimethylanilino)-2-oxoethyl]-methylazanium
CID 9221779
4-chloro-N-[2-(2,6-dimethylanilino)-2-oxoethyl]benzamide
CID 2679820
2-[(Z)-(4-chlorophenyl)methylideneamino]oxy-N-(2,6-dimethylphenyl)acetamide
CID 7700741
2-(4-chlorophenyl)-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 2165744
3-(4-chlorophenyl)-3-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 167840355
3-(4-chlorophenyl)-3-hydroxy-1-phenylpropan-1-one
CID 11032650

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide (CID 110009750) is 3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide is Cc1cccc(O)c1NC(=O)CC(O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide?
The InChIKey is SGOYYSFODITYQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-10-3-2-4-13(19)16(10)18-15(21)9-14(20)11-5-7-12(17)8-6-11/h2-8,14,19-20H,9H2,1H3,(H,18,21).
What are the key properties of 3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide?
3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide has a molecular weight of 305.76 g/mol, XLogP of 3.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-hydroxy-N-(2-hydroxy-6-methylphenyl)propanamide is sourced from PubChem (CID 110009750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).