N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride

C19H24ClFN2OS — CID 120886409

IUPACN-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride
SMILESCSCc1cc(C(=O)N(CCN)CCc2ccccc2)ccc1F.Cl
InChIInChI=1S/C19H23FN2OS.ClH/c1-24-14-17-13-16(7-8-18(17)20)19(23)22(12-10-21)11-9-15-5-3-2-4-6-15;/h2-8,13H,9-12,14,21H2,1H3;1H
InChIKeyKWIGUROGQDZUNH-UHFFFAOYSA-N
MW382.93 g/mol
LogP3.75
Rot. Bonds8

About N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride

N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride (PubChem CID 120886409) has the molecular formula C19H24ClFN2OS and a molecular weight of 382.93 g/mol. Its IUPAC name is N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride
PubChem CID120886409
Molecular FormulaC19H24ClFN2OS
Molecular Weight382.93 g/mol
Exact Mass382.13
IUPAC NameN-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride
SMILESCSCc1cc(C(=O)N(CCN)CCc2ccccc2)ccc1F.Cl
InChIInChI=1S/C19H23FN2OS.ClH/c1-24-14-17-13-16(7-8-18(17)20)19(23)22(12-10-21)11-9-15-5-3-2-4-6-15;/h2-8,13H,9-12,14,21H2,1H3;1H
InChIKeyKWIGUROGQDZUNH-UHFFFAOYSA-N
XLogP3.75
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.93
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-acetamido-N-(2-aminoethyl)-4-fluoro-N-(2-phenylethyl)benzamide
CID 120884910
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
3-N-(2-aminoethyl)-1-N,1-N-dimethyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120885749
N-(2-aminoethyl)-5-fluoro-N-(2-phenylethyl)pyridine-3-carboxamide;dihydrochloride
CID 120885347
3-amino-N-ethyl-4-fluoro-N-(2-phenylethyl)benzamide
CID 61108530
N-(2-aminoethyl)-2-methyl-5-methylsulfanyl-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884347
4-N-(2-aminoethyl)-1-N-ethyl-4-N-(2-phenylethyl)-1-N-propylbenzene-1,4-dicarboxamide
CID 120884506
N-(2-aminoethyl)-3-fluoro-N-(2-phenylethyl)-4-pyrrolidin-1-ylbenzamide
CID 120886194
N-(2-aminoethyl)-4-(difluoromethoxy)-3-methoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120886341
N-(2-aminoethyl)-4-ethoxy-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885321
3-N-(2-aminoethyl)-1-N-(2,2-dimethylpropyl)-1-N-methyl-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide;hydrochloride
CID 120886411
N-(2-aminoethyl)-2-methyl-1,3-dioxo-N-(2-phenylethyl)isoindole-5-carboxamide
CID 120886128

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride (CID 120886409) is N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride is CSCc1cc(C(=O)N(CCN)CCc2ccccc2)ccc1F.Cl.
What is the InChIKey of N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride?
The InChIKey is KWIGUROGQDZUNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2OS.ClH/c1-24-14-17-13-16(7-8-18(17)20)19(23)22(12-10-21)11-9-15-5-3-2-4-6-15;/h2-8,13H,9-12,14,21H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride?
N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride has a molecular weight of 382.93 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4-fluoro-3-(methylsulfanylmethyl)-N-(2-phenylethyl)benzamide;hydrochloride is sourced from PubChem (CID 120886409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).