3-(aminomethyl)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C18H19FN2O — CID 124854722

IUPAC3-(aminomethyl)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESNCc1cccc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)c1
InChIInChI=1S/C18H19FN2O/c19-15-7-8-16-13(10-15)4-2-6-17(16)21-18(22)14-5-1-3-12(9-14)11-20/h1,3,5,7-10,17H,2,4,6,11,20H2,(H,21,22)/t17-/m1/s1
InChIKeyXSYNXQWNXNTIIL-QGZVFWFLSA-N
MW298.36 g/mol
LogP3.09
Rot. Bonds3

About 3-(aminomethyl)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

3-(aminomethyl)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 124854722) has the molecular formula C18H19FN2O and a molecular weight of 298.36 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
PubChem CID124854722
Molecular FormulaC18H19FN2O
Molecular Weight298.36 g/mol
Exact Mass298.15
IUPAC Name3-(aminomethyl)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
SMILESNCc1cccc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)c1
InChIInChI=1S/C18H19FN2O/c19-15-7-8-16-13(10-15)4-2-6-17(16)21-18(22)14-5-1-3-12(9-14)11-20/h1,3,5,7-10,17H,2,4,6,11,20H2,(H,21,22)/t17-/m1/s1
InChIKeyXSYNXQWNXNTIIL-QGZVFWFLSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]-2-oxoethyl]benzoic acid
CID 120552371
3-[3-(aminomethyl)phenyl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 134158405
3-[[(6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)amino]methyl]benzoic acid
CID 122032178
4-(aminomethyl)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 122081059
4-(aminomethyl)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide;hydrochloride
CID 119263397
4-(aminomethyl)-N-[6-(difluoromethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide;hydrochloride
CID 119310224
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-iodobenzamide
CID 116649897
N-[6-[[ethyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(4-fluorophenyl)benzamide
CID 91398337
N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 60574244
3-fluoro-N-(4,5,6,7-tetrahydro-1-benzofuran-4-yl)benzamide
CID 86923832
2,5-difluoro-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
CID 27184099
N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]-3-(4-oxobutyl)-2-phenylquinoxaline-6-carboxamide
CID 163442613

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The IUPAC name of 3-(aminomethyl)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 124854722) is 3-(aminomethyl)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.
What is the SMILES notation for 3-(aminomethyl)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The canonical SMILES for 3-(aminomethyl)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is NCc1cccc(C(=O)N[C@@H]2CCCc3cc(F)ccc32)c1.
What is the InChIKey of 3-(aminomethyl)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
The InChIKey is XSYNXQWNXNTIIL-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H19FN2O/c19-15-7-8-16-13(10-15)4-2-6-17(16)21-18(22)14-5-1-3-12(9-14)11-20/h1,3,5,7-10,17H,2,4,6,11,20H2,(H,21,22)/t17-/m1/s1.
What are the key properties of 3-(aminomethyl)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?
3-(aminomethyl)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 298.36 g/mol, XLogP of 3.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[(1R)-6-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 124854722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).