N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide

C15H20F2N2O2 — CID 115365450

IUPACN-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide
SMILESNCC1(CNC(=O)c2ccc(OC(F)F)cc2)CCCC1
InChIInChI=1S/C15H20F2N2O2/c16-14(17)21-12-5-3-11(4-6-12)13(20)19-10-15(9-18)7-1-2-8-15/h3-6,14H,1-2,7-10,18H2,(H,19,20)
InChIKeyAUEKSKAKBRKQKB-UHFFFAOYSA-N
MW298.33 g/mol
LogP2.54
Rot. Bonds6

About N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide

N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide (PubChem CID 115365450) has the molecular formula C15H20F2N2O2 and a molecular weight of 298.33 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide
PubChem CID115365450
Molecular FormulaC15H20F2N2O2
Molecular Weight298.33 g/mol
Exact Mass298.15
IUPAC NameN-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide
SMILESNCC1(CNC(=O)c2ccc(OC(F)F)cc2)CCCC1
InChIInChI=1S/C15H20F2N2O2/c16-14(17)21-12-5-3-11(4-6-12)13(20)19-10-15(9-18)7-1-2-8-15/h3-6,14H,1-2,7-10,18H2,(H,19,20)
InChIKeyAUEKSKAKBRKQKB-UHFFFAOYSA-N
XLogP2.54
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(difluoromethoxy)phenyl]-N-[[(3R)-3-hydroxypiperidin-3-yl]methyl]benzamide
CID 125448120
4-(difluoromethoxy)-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 62518563
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-difluorobenzamide
CID 115365383
4-(difluoromethoxy)-N-[(3-methyloxetan-3-yl)methyl]benzamide
CID 78956822
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-propan-2-yloxybenzamide
CID 115365539
N-(3-amino-2,2-difluoropropyl)-4-(difluoromethoxy)benzamide
CID 114383585
N-[[1-(aminomethyl)cyclopentyl]methyl]-3,4-dimethoxybenzamide
CID 115365522
1-[4-(difluoromethoxy)phenyl]-3-[[1-(hydroxymethyl)cyclobutyl]methyl]urea
CID 118764369
1-(aminomethyl)-N-[[4-(difluoromethoxy)phenyl]methyl]cyclopentane-1-carboxamide
CID 81485479
[[4-(difluoromethoxy)benzoyl]amino] 1-methylcyclopentane-1-carboxylate
CID 90309618
N-[[1-(aminomethyl)cyclohexyl]methyl]-3,4,5-trifluorobenzamide
CID 103970179
N-[[1-(aminomethyl)cyclopentyl]methyl]-3-hydroxy-4-methylbenzamide
CID 115365565

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide?
The IUPAC name of N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide (CID 115365450) is N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide?
The canonical SMILES for N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide is NCC1(CNC(=O)c2ccc(OC(F)F)cc2)CCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide?
The InChIKey is AUEKSKAKBRKQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O2/c16-14(17)21-12-5-3-11(4-6-12)13(20)19-10-15(9-18)7-1-2-8-15/h3-6,14H,1-2,7-10,18H2,(H,19,20).
What are the key properties of N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide?
N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide has a molecular weight of 298.33 g/mol, XLogP of 2.54, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclopentyl]methyl]-4-(difluoromethoxy)benzamide is sourced from PubChem (CID 115365450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).