(1R)-N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide;hydrochloride

C18H19ClF2N2O — CID 170897085

IUPAC(1R)-N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide;hydrochloride
SMILESCl.NCc1ccc(CNC(=O)[C@@H]2CCc3cc(F)ccc32)c(F)c1
InChIInChI=1S/C18H18F2N2O.ClH/c19-14-4-6-15-12(8-14)3-5-16(15)18(23)22-10-13-2-1-11(9-21)7-17(13)20;/h1-2,4,6-8,16H,3,5,9-10,21H2,(H,22,23);1H/t16-;/m1./s1
InChIKeyOHNWLBXQAXQBOZ-PKLMIRHRSA-N
MW352.81 g/mol
LogP3.19
Rot. Bonds4

About (1R)-N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide;hydrochloride

(1R)-N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide;hydrochloride (PubChem CID 170897085) has the molecular formula C18H19ClF2N2O and a molecular weight of 352.81 g/mol. Its IUPAC name is (1R)-N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1R)-N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide;hydrochloride
PubChem CID170897085
Molecular FormulaC18H19ClF2N2O
Molecular Weight352.81 g/mol
Exact Mass352.12
IUPAC Name(1R)-N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide;hydrochloride
SMILESCl.NCc1ccc(CNC(=O)[C@@H]2CCc3cc(F)ccc32)c(F)c1
InChIInChI=1S/C18H18F2N2O.ClH/c19-14-4-6-15-12(8-14)3-5-16(15)18(23)22-10-13-2-1-11(9-21)7-17(13)20;/h1-2,4,6-8,16H,3,5,9-10,21H2,(H,22,23);1H/t16-;/m1./s1
InChIKeyOHNWLBXQAXQBOZ-PKLMIRHRSA-N
XLogP3.19
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.81
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide;hydrochloride?
The IUPAC name of (1R)-N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide;hydrochloride (CID 170897085) is (1R)-N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide;hydrochloride.
What is the SMILES notation for (1R)-N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide;hydrochloride?
The canonical SMILES for (1R)-N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide;hydrochloride is Cl.NCc1ccc(CNC(=O)[C@@H]2CCc3cc(F)ccc32)c(F)c1.
What is the InChIKey of (1R)-N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide;hydrochloride?
The InChIKey is OHNWLBXQAXQBOZ-PKLMIRHRSA-N. The full InChI is InChI=1S/C18H18F2N2O.ClH/c19-14-4-6-15-12(8-14)3-5-16(15)18(23)22-10-13-2-1-11(9-21)7-17(13)20;/h1-2,4,6-8,16H,3,5,9-10,21H2,(H,22,23);1H/t16-;/m1./s1.
What are the key properties of (1R)-N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide;hydrochloride?
(1R)-N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide;hydrochloride has a molecular weight of 352.81 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-5-fluoro-2,3-dihydro-1H-indene-1-carboxamide;hydrochloride is sourced from PubChem (CID 170897085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).