N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide

C18H20ClNO4 — CID 126837112

IUPACN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1ccc(Cl)cc1C(O)c1ccccc1
InChIInChI=1S/C18H20ClNO4/c1-23-9-10-24-12-17(21)20-16-8-7-14(19)11-15(16)18(22)13-5-3-2-4-6-13/h2-8,11,18,22H,9-10,12H2,1H3,(H,20,21)
InChIKeyXFGCSKLRPHFXBM-UHFFFAOYSA-N
MW349.81 g/mol
LogP3.02
Rot. Bonds8

About N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide

N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide (PubChem CID 126837112) has the molecular formula C18H20ClNO4 and a molecular weight of 349.81 g/mol. Its IUPAC name is N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide
PubChem CID126837112
Molecular FormulaC18H20ClNO4
Molecular Weight349.81 g/mol
Exact Mass349.11
IUPAC NameN-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide
SMILESCOCCOCC(=O)Nc1ccc(Cl)cc1C(O)c1ccccc1
InChIInChI=1S/C18H20ClNO4/c1-23-9-10-24-12-17(21)20-16-8-7-14(19)11-15(16)18(22)13-5-3-2-4-6-13/h2-8,11,18,22H,9-10,12H2,1H3,(H,20,21)
InChIKeyXFGCSKLRPHFXBM-UHFFFAOYSA-N
XLogP3.02
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.81
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-methoxyphenoxy)acetamide
CID 95733658
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]propanamide
CID 50882557
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2-chlorophenoxy)acetamide
CID 95733655
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-phenylphenoxy)acetamide
CID 95733672
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(4-chloro-3-methylphenoxy)acetamide
CID 95733640
5-chloro-N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 50882360
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-2-methoxybenzamide
CID 95557632
3,5-dichloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733581
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-2-(2,4-dibromo-6-methylphenoxy)acetamide
CID 98128992
3-chloro-N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-methoxybenzamide
CID 95733559
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]-3-methoxybenzamide
CID 95362021
N-[4-chloro-2-[(S)-hydroxy(phenyl)methyl]phenyl]-4-ethoxybenzamide
CID 95733551

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide?
The IUPAC name of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide (CID 126837112) is N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide.
What is the SMILES notation for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide?
The canonical SMILES for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide is COCCOCC(=O)Nc1ccc(Cl)cc1C(O)c1ccccc1.
What is the InChIKey of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide?
The InChIKey is XFGCSKLRPHFXBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClNO4/c1-23-9-10-24-12-17(21)20-16-8-7-14(19)11-15(16)18(22)13-5-3-2-4-6-13/h2-8,11,18,22H,9-10,12H2,1H3,(H,20,21).
What are the key properties of N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide?
N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide has a molecular weight of 349.81 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[hydroxy(phenyl)methyl]phenyl]-2-(2-methoxyethoxy)acetamide is sourced from PubChem (CID 126837112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).