2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide

C17H17FN2O — CID 43783999

IUPAC2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide
SMILESNC(=O)c1cc(NC2CCc3ccccc3C2)ccc1F
InChIInChI=1S/C17H17FN2O/c18-16-8-7-14(10-15(16)17(19)21)20-13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,20H,5-6,9H2,(H2,19,21)
InChIKeyBNOJVSLEZQQEOT-UHFFFAOYSA-N
MW284.33 g/mol
LogP2.89
Rot. Bonds3

About 2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide

2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide (PubChem CID 43783999) has the molecular formula C17H17FN2O and a molecular weight of 284.33 g/mol. Its IUPAC name is 2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide.

Molecular Properties

Compound Name2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide
PubChem CID43783999
Molecular FormulaC17H17FN2O
Molecular Weight284.33 g/mol
Exact Mass284.13
IUPAC Name2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide
SMILESNC(=O)c1cc(NC2CCc3ccccc3C2)ccc1F
InChIInChI=1S/C17H17FN2O/c18-16-8-7-14(10-15(16)17(19)21)20-13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,20H,5-6,9H2,(H2,19,21)
InChIKeyBNOJVSLEZQQEOT-UHFFFAOYSA-N
XLogP2.89
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.33
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide?
The IUPAC name of 2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide (CID 43783999) is 2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide.
What is the SMILES notation for 2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide?
The canonical SMILES for 2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide is NC(=O)c1cc(NC2CCc3ccccc3C2)ccc1F.
What is the InChIKey of 2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide?
The InChIKey is BNOJVSLEZQQEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O/c18-16-8-7-14(10-15(16)17(19)21)20-13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,20H,5-6,9H2,(H2,19,21).
What are the key properties of 2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide?
2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide has a molecular weight of 284.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1,2,3,4-tetrahydronaphthalen-2-ylamino)benzamide is sourced from PubChem (CID 43783999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).