N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide

C16H22F2N2O4 — CID 119605365

IUPACN-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCCC2CN)cc(OC)c1OC(F)F
InChIInChI=1S/C16H22F2N2O4/c1-22-12-6-10(7-13(23-2)14(12)24-16(17)18)15(21)20-11-5-3-4-9(11)8-19/h6-7,9,11,16H,3-5,8,19H2,1-2H3,(H,20,21)
InChIKeyHKKBYPPUUISEML-UHFFFAOYSA-N
MW344.36 g/mol
LogP2.16
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide

N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide (PubChem CID 119605365) has the molecular formula C16H22F2N2O4 and a molecular weight of 344.36 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide
PubChem CID119605365
Molecular FormulaC16H22F2N2O4
Molecular Weight344.36 g/mol
Exact Mass344.15
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide
SMILESCOc1cc(C(=O)NC2CCCC2CN)cc(OC)c1OC(F)F
InChIInChI=1S/C16H22F2N2O4/c1-22-12-6-10(7-13(23-2)14(12)24-16(17)18)15(21)20-11-5-3-4-9(11)8-19/h6-7,9,11,16H,3-5,8,19H2,1-2H3,(H,20,21)
InChIKeyHKKBYPPUUISEML-UHFFFAOYSA-N
XLogP2.16
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aminomethyl)cyclohexyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 119610035
N-[2-(aminomethyl)cyclopentyl]-4-bromo-3,5-dimethoxybenzamide
CID 119600547
N-[2-(aminomethyl)cyclohexyl]-4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzamide
CID 119609355
N-[2-(aminomethyl)cyclopentyl]-3-bromo-4-ethoxy-5-methoxybenzamide
CID 119600537
N-[2-(aminomethyl)cyclopentyl]-3,4-dimethoxybenzamide;hydrochloride
CID 119602992
N-[2-(aminomethyl)cyclopentyl]-5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 119604984
N-[2-(aminomethyl)cyclopentyl]-3-hydroxy-4-methoxybenzamide
CID 79725712
N-[2-(aminomethyl)cyclohexyl]-3,4,5-triethoxybenzamide
CID 119610034
N-[2-(aminomethyl)cyclopentyl]-4-(2-amino-2-oxoethoxy)-3-methoxybenzamide;hydrochloride
CID 119601304
N-[2-(aminomethyl)cyclohexyl]-4-(difluoromethoxy)benzamide;hydrochloride
CID 119609331
N-[2-(aminomethyl)cyclopentyl]-2-fluoro-4,5-dimethoxybenzamide;hydrochloride
CID 119601070
N-[2-(aminomethyl)cyclopentyl]-3-fluoro-5-methylbenzamide
CID 113265788

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide (CID 119605365) is N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide is COc1cc(C(=O)NC2CCCC2CN)cc(OC)c1OC(F)F.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide?
The InChIKey is HKKBYPPUUISEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O4/c1-22-12-6-10(7-13(23-2)14(12)24-16(17)18)15(21)20-11-5-3-4-9(11)8-19/h6-7,9,11,16H,3-5,8,19H2,1-2H3,(H,20,21).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide?
N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide has a molecular weight of 344.36 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide is sourced from PubChem (CID 119605365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).