N-[6-[[ethyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(4-fluorophenyl)benzamide

C27H29FN2O — CID 91398337

IUPACN-[6-[[ethyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(4-fluorophenyl)benzamide
SMILESCCN(C)Cc1ccc2c(c1)CCCC2NC(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C27H29FN2O/c1-3-30(2)18-19-7-16-25-23(17-19)5-4-6-26(25)29-27(31)22-10-8-20(9-11-22)21-12-14-24(28)15-13-21/h7-17,26H,3-6,18H2,1-2H3,(H,29,31)
InChIKeyMDBBOOMSCNEFLP-UHFFFAOYSA-N
MW416.54 g/mol
LogP5.75
Rot. Bonds6

About N-[6-[[ethyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(4-fluorophenyl)benzamide

N-[6-[[ethyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(4-fluorophenyl)benzamide (PubChem CID 91398337) has the molecular formula C27H29FN2O and a molecular weight of 416.54 g/mol. Its IUPAC name is N-[6-[[ethyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(4-fluorophenyl)benzamide.

Molecular Properties

Compound NameN-[6-[[ethyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(4-fluorophenyl)benzamide
PubChem CID91398337
Molecular FormulaC27H29FN2O
Molecular Weight416.54 g/mol
Exact Mass416.23
IUPAC NameN-[6-[[ethyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(4-fluorophenyl)benzamide
SMILESCCN(C)Cc1ccc2c(c1)CCCC2NC(=O)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C27H29FN2O/c1-3-30(2)18-19-7-16-25-23(17-19)5-4-6-26(25)29-27(31)22-10-8-20(9-11-22)21-12-14-24(28)15-13-21/h7-17,26H,3-6,18H2,1-2H3,(H,29,31)
InChIKeyMDBBOOMSCNEFLP-UHFFFAOYSA-N
XLogP5.75
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.54
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[6-[[ethyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(4-fluorophenyl)benzamide?
The IUPAC name of N-[6-[[ethyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(4-fluorophenyl)benzamide (CID 91398337) is N-[6-[[ethyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(4-fluorophenyl)benzamide.
What is the SMILES notation for N-[6-[[ethyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(4-fluorophenyl)benzamide?
The canonical SMILES for N-[6-[[ethyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(4-fluorophenyl)benzamide is CCN(C)Cc1ccc2c(c1)CCCC2NC(=O)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of N-[6-[[ethyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(4-fluorophenyl)benzamide?
The InChIKey is MDBBOOMSCNEFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O/c1-3-30(2)18-19-7-16-25-23(17-19)5-4-6-26(25)29-27(31)22-10-8-20(9-11-22)21-12-14-24(28)15-13-21/h7-17,26H,3-6,18H2,1-2H3,(H,29,31).
What are the key properties of N-[6-[[ethyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(4-fluorophenyl)benzamide?
N-[6-[[ethyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(4-fluorophenyl)benzamide has a molecular weight of 416.54 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[[ethyl(methyl)amino]methyl]-1,2,3,4-tetrahydronaphthalen-1-yl]-4-(4-fluorophenyl)benzamide is sourced from PubChem (CID 91398337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).