N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3,4-difluorobenzamide

C17H16F2N2O — CID 118694736

IUPACN-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3,4-difluorobenzamide
SMILESN[C@H]1CCc2cc(NC(=O)c3ccc(F)c(F)c3)ccc2C1
InChIInChI=1S/C17H16F2N2O/c18-15-6-3-12(9-16(15)19)17(22)21-14-5-2-10-7-13(20)4-1-11(10)8-14/h2-3,5-6,8-9,13H,1,4,7,20H2,(H,21,22)/t13-/m0/s1
InChIKeyMMQBALHYUBSUKQ-ZDUSSCGKSA-N
MW302.32 g/mol
LogP3.03
Rot. Bonds2

About N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3,4-difluorobenzamide

N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3,4-difluorobenzamide (PubChem CID 118694736) has the molecular formula C17H16F2N2O and a molecular weight of 302.32 g/mol. Its IUPAC name is N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3,4-difluorobenzamide.

Molecular Properties

Compound NameN-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3,4-difluorobenzamide
PubChem CID118694736
Molecular FormulaC17H16F2N2O
Molecular Weight302.32 g/mol
Exact Mass302.12
IUPAC NameN-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3,4-difluorobenzamide
SMILESN[C@H]1CCc2cc(NC(=O)c3ccc(F)c(F)c3)ccc2C1
InChIInChI=1S/C17H16F2N2O/c18-15-6-3-12(9-16(15)19)17(22)21-14-5-2-10-7-13(20)4-1-11(10)8-14/h2-3,5-6,8-9,13H,1,4,7,20H2,(H,21,22)/t13-/m0/s1
InChIKeyMMQBALHYUBSUKQ-ZDUSSCGKSA-N
XLogP3.03
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.32
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3,4-difluorobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3,4-difluorobenzamide?
The IUPAC name of N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3,4-difluorobenzamide (CID 118694736) is N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3,4-difluorobenzamide.
What is the SMILES notation for N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3,4-difluorobenzamide?
The canonical SMILES for N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3,4-difluorobenzamide is N[C@H]1CCc2cc(NC(=O)c3ccc(F)c(F)c3)ccc2C1.
What is the InChIKey of N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3,4-difluorobenzamide?
The InChIKey is MMQBALHYUBSUKQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H16F2N2O/c18-15-6-3-12(9-16(15)19)17(22)21-14-5-2-10-7-13(20)4-1-11(10)8-14/h2-3,5-6,8-9,13H,1,4,7,20H2,(H,21,22)/t13-/m0/s1.
What are the key properties of N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3,4-difluorobenzamide?
N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3,4-difluorobenzamide has a molecular weight of 302.32 g/mol, XLogP of 3.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S)-6-amino-5,6,7,8-tetrahydronaphthalen-2-yl]-3,4-difluorobenzamide is sourced from PubChem (CID 118694736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).