N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride

C18H21ClF2N2O2 — CID 120649019

IUPACN-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H20F2N2O2.ClH/c19-18(20)24-16-9-4-8-15(12-16)17(23)22(11-5-10-21)13-14-6-2-1-3-7-14;/h1-4,6-9,12,18H,5,10-11,13,21H2;1H
InChIKeyFKONJPZSCFZPKO-UHFFFAOYSA-N
MW370.83 g/mol
LogP3.70
Rot. Bonds8

About N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride

N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride (PubChem CID 120649019) has the molecular formula C18H21ClF2N2O2 and a molecular weight of 370.83 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride
PubChem CID120649019
Molecular FormulaC18H21ClF2N2O2
Molecular Weight370.83 g/mol
Exact Mass370.13
IUPAC NameN-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride
SMILESCl.NCCCN(Cc1ccccc1)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C18H20F2N2O2.ClH/c19-18(20)24-16-9-4-8-15(12-16)17(23)22(11-5-10-21)13-14-6-2-1-3-7-14;/h1-4,6-9,12,18H,5,10-11,13,21H2;1H
InChIKeyFKONJPZSCFZPKO-UHFFFAOYSA-N
XLogP3.70
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminopropyl)-N-benzyl-3-propoxybenzamide;hydrochloride
CID 120649308
N-(3-aminopropyl)-N-benzyl-3,5-dimethoxybenzamide;hydrochloride
CID 120649276
N-(3-aminopropyl)-N-benzyl-3-bromobenzamide
CID 107365609
N-(3-aminopropyl)-N-benzyl-3-iodobenzamide
CID 107365856
N-(2-aminoethyl)-N-(2,2-difluoroethyl)-3-(difluoromethoxy)benzamide
CID 107493447
3-N-(3-aminopropyl)-3-N-benzyl-1-N-methylbenzene-1,3-dicarboxamide
CID 120648912
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide;hydrochloride
CID 120648747
N-(3-aminopropyl)-N-benzyl-2-(3-propan-2-yloxyphenyl)acetamide
CID 120648333
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
N-(3-aminopropyl)-N-benzyl-5-fluoropyridine-3-carboxamide
CID 107365924
N-(3-aminopropyl)-N-benzyl-2,3-dihydro-1H-indene-5-carboxamide
CID 120648770

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride (CID 120649019) is N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride is Cl.NCCCN(Cc1ccccc1)C(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride?
The InChIKey is FKONJPZSCFZPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N2O2.ClH/c19-18(20)24-16-9-4-8-15(12-16)17(23)22(11-5-10-21)13-14-6-2-1-3-7-14;/h1-4,6-9,12,18H,5,10-11,13,21H2;1H.
What are the key properties of N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride?
N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride has a molecular weight of 370.83 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-3-(difluoromethoxy)benzamide;hydrochloride is sourced from PubChem (CID 120649019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).