4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide

C17H18N2O2 — CID 63356926

IUPAC4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide
SMILESNC(=O)c1ccc(N)c(OC2CCCc3ccccc32)c1
InChIInChI=1S/C17H18N2O2/c18-14-9-8-12(17(19)20)10-16(14)21-15-7-3-5-11-4-1-2-6-13(11)15/h1-2,4,6,8-10,15H,3,5,7,18H2,(H2,19,20)
InChIKeyIOKWDSOLXIKIBE-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.82
Rot. Bonds3

About 4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide

4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide (PubChem CID 63356926) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide.

Molecular Properties

Compound Name4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide
PubChem CID63356926
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide
SMILESNC(=O)c1ccc(N)c(OC2CCCc3ccccc32)c1
InChIInChI=1S/C17H18N2O2/c18-14-9-8-12(17(19)20)10-16(14)21-15-7-3-5-11-4-1-2-6-13(11)15/h1-2,4,6,8-10,15H,3,5,7,18H2,(H2,19,20)
InChIKeyIOKWDSOLXIKIBE-UHFFFAOYSA-N
XLogP2.82
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 66081752
4-fluoro-5-iodo-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 66101922
1,2,3,4-tetrahydronaphthalen-1-yl 3-amino-4-fluorobenzoate
CID 61279911
N'-hydroxy-2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzenecarboximidamide
CID 43200026
2-[2-amino-5-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]acetonitrile
CID 102624855
6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)pyridine-3-carbothioamide
CID 43185027
2-fluoro-6-(1,2,3,4-tetrahydronaphthalen-1-yloxy)aniline
CID 60790202
1,2,3,4-tetrahydronaphthalen-1-yl 3-aminopyridine-2-carboxylate
CID 103993279
(1R)-1-[2-(1,2,3,4-tetrahydronaphthalen-1-yloxy)phenyl]ethanamine
CID 78937787
3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-4-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide
CID 121407776
4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)benzamide
CID 43178184
4-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzene-1,4-dicarboxamide
CID 42916066

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide?
The IUPAC name of 4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide (CID 63356926) is 4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide.
What is the SMILES notation for 4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide?
The canonical SMILES for 4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide is NC(=O)c1ccc(N)c(OC2CCCc3ccccc32)c1.
What is the InChIKey of 4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide?
The InChIKey is IOKWDSOLXIKIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c18-14-9-8-12(17(19)20)10-16(14)21-15-7-3-5-11-4-1-2-6-13(11)15/h1-2,4,6,8-10,15H,3,5,7,18H2,(H2,19,20).
What are the key properties of 4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide?
4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide has a molecular weight of 282.34 g/mol, XLogP of 2.82, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1,2,3,4-tetrahydronaphthalen-1-yloxy)benzamide is sourced from PubChem (CID 63356926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).