N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide

C15H20F2N2O — CID 115365544

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide
SMILESNCC1(CNC(=O)Cc2ccc(F)c(F)c2)CCCC1
InChIInChI=1S/C15H20F2N2O/c16-12-4-3-11(7-13(12)17)8-14(20)19-10-15(9-18)5-1-2-6-15/h3-4,7H,1-2,5-6,8-10,18H2,(H,19,20)
InChIKeyDMCOLPRVHNVXDZ-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.14
Rot. Bonds5

About N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide

N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide (PubChem CID 115365544) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide
PubChem CID115365544
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide
SMILESNCC1(CNC(=O)Cc2ccc(F)c(F)c2)CCCC1
InChIInChI=1S/C15H20F2N2O/c16-12-4-3-11(7-13(12)17)8-14(20)19-10-15(9-18)5-1-2-6-15/h3-4,7H,1-2,5-6,8-10,18H2,(H,19,20)
InChIKeyDMCOLPRVHNVXDZ-UHFFFAOYSA-N
XLogP2.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-chlorophenyl)acetamide
CID 115267473
2-(3,4-difluorophenyl)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]acetamide
CID 80716827
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
2-[1-(aminomethyl)cyclobutyl]-N-[(3,4-difluorophenyl)methyl]acetamide
CID 81169710
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,5-difluorophenyl)acetamide
CID 115271338
1-[[[2-(3,4-difluorophenyl)acetyl]amino]methyl]cyclobutane-1-carboxylic acid
CID 115445278
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(1,3-benzodioxol-5-yl)acetamide
CID 115271331
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113313642
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methylsulfanylphenyl)acetamide
CID 115271343
N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide
CID 103970179
N-[[1-(aminomethyl)cyclohexyl]methyl]-2-fluoro-4-hydroxybenzamide
CID 107677827
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-(4-chlorophenyl)acetamide
CID 103969492

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide (CID 115365544) is N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide is NCC1(CNC(=O)Cc2ccc(F)c(F)c2)CCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide?
The InChIKey is DMCOLPRVHNVXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c16-12-4-3-11(7-13(12)17)8-14(20)19-10-15(9-18)5-1-2-6-15/h3-4,7H,1-2,5-6,8-10,18H2,(H,19,20).
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide?
N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide has a molecular weight of 282.33 g/mol, XLogP of 2.14, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 115365544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).