N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride

C16H25ClF2N2O4 — CID 119572146

IUPACN-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cc(OC)c(OC(F)F)c(OC)c1.Cl
InChIInChI=1S/C16H24F2N2O4.ClH/c1-5-16(6-2,9-19)20-14(21)10-7-11(22-3)13(24-15(17)18)12(8-10)23-4;/h7-8,15H,5-6,9,19H2,1-4H3,(H,20,21);1H
InChIKeyYSXJHJKCNORPCO-UHFFFAOYSA-N
MW382.84 g/mol
LogP2.97
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride (PubChem CID 119572146) has the molecular formula C16H25ClF2N2O4 and a molecular weight of 382.84 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
PubChem CID119572146
Molecular FormulaC16H25ClF2N2O4
Molecular Weight382.84 g/mol
Exact Mass382.15
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)c1cc(OC)c(OC(F)F)c(OC)c1.Cl
InChIInChI=1S/C16H24F2N2O4.ClH/c1-5-16(6-2,9-19)20-14(21)10-7-11(22-3)13(24-15(17)18)12(8-10)23-4;/h7-8,15H,5-6,9,19H2,1-4H3,(H,20,21);1H
InChIKeyYSXJHJKCNORPCO-UHFFFAOYSA-N
XLogP2.97
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.84
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
CID 119609098
N-(2-aminoethyl)-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride
CID 119385630
N-[3-(aminomethyl)pentan-3-yl]-3-bromo-4-methoxybenzamide;hydrochloride
CID 119571870
N-[2-(aminomethyl)cyclopentyl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide
CID 119605365
N-(1-aminopropan-2-yl)-4-(difluoromethoxy)-3,5-dimethoxy-N-methylbenzamide
CID 119585328
4-[[4-(difluoromethoxy)-3,5-dimethoxybenzoyl]amino]butanoic acid
CID 119352935
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(difluoromethoxy)-3,5-dimethylbenzamide;hydrochloride
CID 119608553
4-(difluoromethoxy)-3,5-dimethoxy-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514863
N-[3-(aminomethyl)pentan-3-yl]-4-fluorobenzamide;hydrochloride
CID 119570827
N-[3-(aminomethyl)pentan-3-yl]-3-propan-2-yloxybenzamide
CID 63767069
N-(1-amino-2-methylpropan-2-yl)-3-chloro-4-ethoxy-5-methoxybenzamide;hydrochloride
CID 119521982
N-(1-amino-2,4-dimethylpentan-2-yl)-4-(difluoromethoxy)-3-methoxybenzamide
CID 119600077

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride (CID 119572146) is N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride is CCC(CC)(CN)NC(=O)c1cc(OC)c(OC(F)F)c(OC)c1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride?
The InChIKey is YSXJHJKCNORPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O4.ClH/c1-5-16(6-2,9-19)20-14(21)10-7-11(22-3)13(24-15(17)18)12(8-10)23-4;/h7-8,15H,5-6,9,19H2,1-4H3,(H,20,21);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride has a molecular weight of 382.84 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-4-(difluoromethoxy)-3,5-dimethoxybenzamide;hydrochloride is sourced from PubChem (CID 119572146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).