N-[1-(aminomethyl)cyclopentyl]-2-(difluoromethoxy)benzamide

C14H18F2N2O2 — CID 63754520

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(difluoromethoxy)benzamide
SMILESNCC1(NC(=O)c2ccccc2OC(F)F)CCCC1
InChIInChI=1S/C14H18F2N2O2/c15-13(16)20-11-6-2-1-5-10(11)12(19)18-14(9-17)7-3-4-8-14/h1-2,5-6,13H,3-4,7-9,17H2,(H,18,19)
InChIKeyKPVJZUWOIBCQTE-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.29
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-2-(difluoromethoxy)benzamide

N-[1-(aminomethyl)cyclopentyl]-2-(difluoromethoxy)benzamide (PubChem CID 63754520) has the molecular formula C14H18F2N2O2 and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(difluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(difluoromethoxy)benzamide
PubChem CID63754520
Molecular FormulaC14H18F2N2O2
Molecular Weight284.31 g/mol
Exact Mass284.13
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(difluoromethoxy)benzamide
SMILESNCC1(NC(=O)c2ccccc2OC(F)F)CCCC1
InChIInChI=1S/C14H18F2N2O2/c15-13(16)20-11-6-2-1-5-10(11)12(19)18-14(9-17)7-3-4-8-14/h1-2,5-6,13H,3-4,7-9,17H2,(H,18,19)
InChIKeyKPVJZUWOIBCQTE-UHFFFAOYSA-N
XLogP2.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(difluoromethoxy)benzoyl]amino]cyclobutane-1-carboxylic acid
CID 81158711
N-(1-cyanocyclohexyl)-2-(difluoromethoxy)benzamide
CID 60704762
N-[1-(aminomethyl)cyclopentyl]-2-methylsulfanylbenzamide
CID 79217970
N-[1-(aminomethyl)cyclopentyl]naphthalene-1-carboxamide
CID 63753414
1-[[[2-(difluoromethoxy)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544682
N-[1-(aminomethyl)cyclopentyl]-2,6-dimethoxybenzamide
CID 63755237
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
2-(difluoromethoxy)-N-ethylbenzamide
CID 60644731
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
N-(1-amino-2-methylpropan-2-yl)-2-(difluoromethoxy)benzamide
CID 63193542
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-ethoxybenzamide
CID 63754045
N-[1-(aminomethyl)-4-methylcyclohexyl]-2-ethoxybenzamide
CID 63765711

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(difluoromethoxy)benzamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(difluoromethoxy)benzamide (CID 63754520) is N-[1-(aminomethyl)cyclopentyl]-2-(difluoromethoxy)benzamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(difluoromethoxy)benzamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(difluoromethoxy)benzamide is NCC1(NC(=O)c2ccccc2OC(F)F)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(difluoromethoxy)benzamide?
The InChIKey is KPVJZUWOIBCQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N2O2/c15-13(16)20-11-6-2-1-5-10(11)12(19)18-14(9-17)7-3-4-8-14/h1-2,5-6,13H,3-4,7-9,17H2,(H,18,19).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(difluoromethoxy)benzamide?
N-[1-(aminomethyl)cyclopentyl]-2-(difluoromethoxy)benzamide has a molecular weight of 284.31 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(difluoromethoxy)benzamide is sourced from PubChem (CID 63754520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).