2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide

C16H22ClFN2O — CID 81049292

IUPAC2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide
SMILESCc1cc(C(N)CC2(CC(N)=O)CCCC2)c(Cl)cc1F
InChIInChI=1S/C16H22ClFN2O/c1-10-6-11(12(17)7-13(10)18)14(19)8-16(9-15(20)21)4-2-3-5-16/h6-7,14H,2-5,8-9,19H2,1H3,(H2,20,21)
InChIKeyKIKZCCUNPTVQLT-UHFFFAOYSA-N
MW312.82 g/mol
LogP3.61
Rot. Bonds5

About 2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide

2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide (PubChem CID 81049292) has the molecular formula C16H22ClFN2O and a molecular weight of 312.82 g/mol. Its IUPAC name is 2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide.

Molecular Properties

Compound Name2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide
PubChem CID81049292
Molecular FormulaC16H22ClFN2O
Molecular Weight312.82 g/mol
Exact Mass312.14
IUPAC Name2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide
SMILESCc1cc(C(N)CC2(CC(N)=O)CCCC2)c(Cl)cc1F
InChIInChI=1S/C16H22ClFN2O/c1-10-6-11(12(17)7-13(10)18)14(19)8-16(9-15(20)21)4-2-3-5-16/h6-7,14H,2-5,8-9,19H2,1H3,(H2,20,21)
InChIKeyKIKZCCUNPTVQLT-UHFFFAOYSA-N
XLogP3.61
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.82
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-3-(2-chloro-5-fluoro-4-methylphenyl)propanamide
CID 116850996
2-[1-[2-amino-2-(3,4-dimethylphenyl)ethyl]cyclohexyl]acetamide
CID 60862171
2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclohexyl]acetamide
CID 102828964
(2-chloro-4-fluoro-5-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methanol
CID 81045388
methyl 2-[1-[2-amino-2-(2,4-difluorophenyl)ethyl]cyclopentyl]acetate
CID 61070965
5-amino-5-(2-chloro-5-fluoro-4-methylphenyl)pentanoic acid
CID 116937894
2-[1-[2-(4-bromo-5-chloro-2-fluorophenyl)-2-hydroxyethyl]cyclopentyl]acetic acid
CID 105399247
ethyl 2-[1-[2-amino-2-(4-bromo-5-chlorothiophen-2-yl)ethyl]cyclopentyl]acetate
CID 102828971
1-(2-chloro-5-fluoro-4-methylphenyl)-2-methylsulfanylethanamine
CID 116830356
methyl 2-[1-[2-amino-2-(4-chlorophenyl)ethyl]cyclohexyl]acetate
CID 60860658
(2-chloro-4-fluoro-5-methylphenyl)-(1-ethylcyclopentyl)methanone
CID 81045264
2-(4-bromophenyl)-1-(2-chloro-4-fluoro-5-methylphenyl)ethanamine
CID 81045980

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide?
The IUPAC name of 2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide (CID 81049292) is 2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide.
What is the SMILES notation for 2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide?
The canonical SMILES for 2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide is Cc1cc(C(N)CC2(CC(N)=O)CCCC2)c(Cl)cc1F.
What is the InChIKey of 2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide?
The InChIKey is KIKZCCUNPTVQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClFN2O/c1-10-6-11(12(17)7-13(10)18)14(19)8-16(9-15(20)21)4-2-3-5-16/h6-7,14H,2-5,8-9,19H2,1H3,(H2,20,21).
What are the key properties of 2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide?
2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide has a molecular weight of 312.82 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-amino-2-(2-chloro-4-fluoro-5-methylphenyl)ethyl]cyclopentyl]acetamide is sourced from PubChem (CID 81049292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).