2,2-difluoro-N-[3-(2-hydroxycyclohexyl)propyl]-2-(4-methoxyphenyl)acetamide

C18H25F2NO3 — CID 109479423

IUPAC2,2-difluoro-N-[3-(2-hydroxycyclohexyl)propyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(F)(F)C(=O)NCCCC2CCCCC2O)cc1
InChIInChI=1S/C18H25F2NO3/c1-24-15-10-8-14(9-11-15)18(19,20)17(23)21-12-4-6-13-5-2-3-7-16(13)22/h8-11,13,16,22H,2-7,12H2,1H3,(H,21,23)
InChIKeyNIGFCYGAOHHCNC-UHFFFAOYSA-N
MW341.40 g/mol
LogP3.23
Rot. Bonds7

About 2,2-difluoro-N-[3-(2-hydroxycyclohexyl)propyl]-2-(4-methoxyphenyl)acetamide

2,2-difluoro-N-[3-(2-hydroxycyclohexyl)propyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 109479423) has the molecular formula C18H25F2NO3 and a molecular weight of 341.40 g/mol. Its IUPAC name is 2,2-difluoro-N-[3-(2-hydroxycyclohexyl)propyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-[3-(2-hydroxycyclohexyl)propyl]-2-(4-methoxyphenyl)acetamide
PubChem CID109479423
Molecular FormulaC18H25F2NO3
Molecular Weight341.40 g/mol
Exact Mass341.18
IUPAC Name2,2-difluoro-N-[3-(2-hydroxycyclohexyl)propyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(C(F)(F)C(=O)NCCCC2CCCCC2O)cc1
InChIInChI=1S/C18H25F2NO3/c1-24-15-10-8-14(9-11-15)18(19,20)17(23)21-12-4-6-13-5-2-3-7-16(13)22/h8-11,13,16,22H,2-7,12H2,1H3,(H,21,23)
InChIKeyNIGFCYGAOHHCNC-UHFFFAOYSA-N
XLogP3.23
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2-difluoro-N-[3-(4-hydroxypiperidin-1-yl)propyl]-2-(4-methoxyphenyl)acetamide
CID 109476397
2,2-difluoro-N-(3-hydroxypentyl)-2-(4-methoxyphenyl)acetamide
CID 109478693
2,2-difluoro-N-(3-hydroxy-4-methylpentyl)-2-(4-methoxyphenyl)acetamide
CID 109476466
2,2-difluoro-2-(4-methoxyphenyl)acetamide
CID 115022146
2-hydroxy-N-[3-(2-hydroxycyclohexyl)propyl]cyclopentane-1-carboxamide
CID 110016444
2-[(4-methoxyphenyl)methyl]cyclohexan-1-ol
CID 13024939
2,2-difluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-(4-methoxyphenyl)acetamide
CID 109478476
N-(2-acetamidoethyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110437825
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590
2-(cyclopentylamino)-2-(4-methoxyphenyl)butanamide
CID 60998135
(2S)-N-[3-[(1R,2S)-2-hydroxycyclopentyl]propyl]-2-phenylpropanamide
CID 99856024
2,2-difluoro-2-[4-(4-methoxyphenyl)phenyl]acetic acid
CID 22575053

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[3-(2-hydroxycyclohexyl)propyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of 2,2-difluoro-N-[3-(2-hydroxycyclohexyl)propyl]-2-(4-methoxyphenyl)acetamide (CID 109479423) is 2,2-difluoro-N-[3-(2-hydroxycyclohexyl)propyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-[3-(2-hydroxycyclohexyl)propyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2,2-difluoro-N-[3-(2-hydroxycyclohexyl)propyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(C(F)(F)C(=O)NCCCC2CCCCC2O)cc1.
What is the InChIKey of 2,2-difluoro-N-[3-(2-hydroxycyclohexyl)propyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is NIGFCYGAOHHCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F2NO3/c1-24-15-10-8-14(9-11-15)18(19,20)17(23)21-12-4-6-13-5-2-3-7-16(13)22/h8-11,13,16,22H,2-7,12H2,1H3,(H,21,23).
What are the key properties of 2,2-difluoro-N-[3-(2-hydroxycyclohexyl)propyl]-2-(4-methoxyphenyl)acetamide?
2,2-difluoro-N-[3-(2-hydroxycyclohexyl)propyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 341.40 g/mol, XLogP of 3.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[3-(2-hydroxycyclohexyl)propyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 109479423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).