2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-N-[2-[(1S,2R)-2-hydroxycyclopentyl]ethyl]acetamide

C17H23ClFNO2 — CID 166424371

IUPAC2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-N-[2-[(1S,2R)-2-hydroxycyclopentyl]ethyl]acetamide
SMILESCc1ccc(F)cc1CN(CC[C@@H]1CCC[C@H]1O)C(=O)CCl
InChIInChI=1S/C17H23ClFNO2/c1-12-5-6-15(19)9-14(12)11-20(17(22)10-18)8-7-13-3-2-4-16(13)21/h5-6,9,13,16,21H,2-4,7-8,10-11H2,1H3/t13-,16+/m0/s1
InChIKeyXGNZNVNFQZBDQJ-XJKSGUPXSA-N
MW327.83 g/mol
LogP3.25
Rot. Bonds6

About 2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-N-[2-[(1S,2R)-2-hydroxycyclopentyl]ethyl]acetamide

2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-N-[2-[(1S,2R)-2-hydroxycyclopentyl]ethyl]acetamide (PubChem CID 166424371) has the molecular formula C17H23ClFNO2 and a molecular weight of 327.83 g/mol. Its IUPAC name is 2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-N-[2-[(1S,2R)-2-hydroxycyclopentyl]ethyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-N-[2-[(1S,2R)-2-hydroxycyclopentyl]ethyl]acetamide
PubChem CID166424371
Molecular FormulaC17H23ClFNO2
Molecular Weight327.83 g/mol
Exact Mass327.14
IUPAC Name2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-N-[2-[(1S,2R)-2-hydroxycyclopentyl]ethyl]acetamide
SMILESCc1ccc(F)cc1CN(CC[C@@H]1CCC[C@H]1O)C(=O)CCl
InChIInChI=1S/C17H23ClFNO2/c1-12-5-6-15(19)9-14(12)11-20(17(22)10-18)8-7-13-3-2-4-16(13)21/h5-6,9,13,16,21H,2-4,7-8,10-11H2,1H3/t13-,16+/m0/s1
InChIKeyXGNZNVNFQZBDQJ-XJKSGUPXSA-N
XLogP3.25
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3,4-dimethylphenyl)sulfonylethyl]cyclopentan-1-ol
CID 106585441
2-chloro-N-(1,4-dioxaspiro[4.4]nonan-9-yl)-N-[(5-fluoro-2-methylphenyl)methyl]acetamide
CID 167757330
N-(2-bromoethyl)-N-[(5-fluoro-2-methylphenyl)methyl]cyclobutanamine
CID 102860764
3-[(2,5-difluorophenyl)methyl]-1-[(2-hydroxycyclopentyl)methyl]-1-methylurea
CID 109398607
N-(2-chloroethyl)-N-cyclobutyl-4-fluoro-2-methylbenzamide
CID 102872612
2-[(5-fluoro-2-methylphenyl)methylamino]cyclohexane-1-carboxamide
CID 86790304
1-cyclohexyl-3-(5-fluoro-2-methylphenyl)propan-2-one
CID 105376845
1-(4,4-difluorocyclohexyl)-2-(5-fluoro-2-methylphenyl)ethanone
CID 105376737
1-cyclopropyl-2-(4-fluoro-2-methylphenyl)ethanone
CID 114347164
1-(2,4-difluorophenyl)-N-[3-(2-hydroxycyclohexyl)propyl]methanesulfonamide
CID 84599149
[2-[(5-fluoro-2-methylphenyl)methyl]cyclohexyl]methanamine
CID 105376265
2-[2-(N,3-dimethylanilino)ethyl]cyclopentan-1-ol
CID 79564547

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-N-[2-[(1S,2R)-2-hydroxycyclopentyl]ethyl]acetamide?
The IUPAC name of 2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-N-[2-[(1S,2R)-2-hydroxycyclopentyl]ethyl]acetamide (CID 166424371) is 2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-N-[2-[(1S,2R)-2-hydroxycyclopentyl]ethyl]acetamide.
What is the SMILES notation for 2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-N-[2-[(1S,2R)-2-hydroxycyclopentyl]ethyl]acetamide?
The canonical SMILES for 2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-N-[2-[(1S,2R)-2-hydroxycyclopentyl]ethyl]acetamide is Cc1ccc(F)cc1CN(CC[C@@H]1CCC[C@H]1O)C(=O)CCl.
What is the InChIKey of 2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-N-[2-[(1S,2R)-2-hydroxycyclopentyl]ethyl]acetamide?
The InChIKey is XGNZNVNFQZBDQJ-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H23ClFNO2/c1-12-5-6-15(19)9-14(12)11-20(17(22)10-18)8-7-13-3-2-4-16(13)21/h5-6,9,13,16,21H,2-4,7-8,10-11H2,1H3/t13-,16+/m0/s1.
What are the key properties of 2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-N-[2-[(1S,2R)-2-hydroxycyclopentyl]ethyl]acetamide?
2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-N-[2-[(1S,2R)-2-hydroxycyclopentyl]ethyl]acetamide has a molecular weight of 327.83 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-fluoro-2-methylphenyl)methyl]-N-[2-[(1S,2R)-2-hydroxycyclopentyl]ethyl]acetamide is sourced from PubChem (CID 166424371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).