N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C17H16ClNO2 — CID 56581587

IUPACN-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)C1CCCc2ccccc21
InChIInChI=1S/C17H16ClNO2/c18-12-8-9-16(20)15(10-12)19-17(21)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14,20H,3,5,7H2,(H,19,21)
InChIKeyVFSXIFMJROFMHM-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.10
Rot. Bonds2

About N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 56581587) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID56581587
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC NameN-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1O)C1CCCc2ccccc21
InChIInChI=1S/C17H16ClNO2/c18-12-8-9-16(20)15(10-12)19-17(21)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14,20H,3,5,7H2,(H,19,21)
InChIKeyVFSXIFMJROFMHM-UHFFFAOYSA-N
XLogP4.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55559378
N-(2-aminophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 43600014
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946523
N-naphthalen-1-yl-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946726
N-(3-acetamido-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134063134
N-(5-bromo-2-methylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60794002
N-(3-amino-4-fluorophenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 62058346
N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002451
N-(2-amino-5-chlorophenyl)bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 66394332
2-(5-chloro-2-fluorophenyl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)ethanone
CID 103047992
N-(3-methylsulfanylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946722
(1S)-N-[2-(methanesulfonamido)-5-methoxyphenyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 51960127

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 56581587) is N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is O=C(Nc1cc(Cl)ccc1O)C1CCCc2ccccc21.
What is the InChIKey of N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is VFSXIFMJROFMHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-12-8-9-16(20)15(10-12)19-17(21)14-7-3-5-11-4-1-2-6-13(11)14/h1-2,4,6,8-10,14,20H,3,5,7H2,(H,19,21).
What are the key properties of N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 301.77 g/mol, XLogP of 4.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 56581587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).