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

C17H16ClNO2 — CID 107126932

IUPACN-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)C1CCc2ccccc2C1
InChIInChI=1S/C17H16ClNO2/c18-15-10-14(7-8-16(15)20)19-17(21)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,20H,5-6,9H2,(H,19,21)
InChIKeyKXDLAOIQHYIKFU-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.79
Rot. Bonds2

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

N-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 107126932) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is N-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID107126932
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC NameN-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESO=C(Nc1ccc(O)c(Cl)c1)C1CCc2ccccc2C1
InChIInChI=1S/C17H16ClNO2/c18-15-10-14(7-8-16(15)20)19-17(21)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,20H,5-6,9H2,(H,19,21)
InChIKeyKXDLAOIQHYIKFU-UHFFFAOYSA-N
XLogP3.79
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 ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107620504
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126922
N-(3-chloro-4-hydroxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
CID 86785947
N-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106704006
N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106893109
N-(2-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126797
N-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126097
N-(3-chloro-4-hydroxyphenyl)-5-oxopyrrolidine-2-carboxamide
CID 64787520
N-[(2-hydroxyphenyl)methyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126936
ethane;N-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 143214414
2-chloro-N-(3-chloro-4-hydroxyphenyl)benzamide
CID 5119935
N-[4-(1H-pyrazol-4-yl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 58310850

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 107126932) is N-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is O=C(Nc1ccc(O)c(Cl)c1)C1CCc2ccccc2C1.
What is the InChIKey of N-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is KXDLAOIQHYIKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-15-10-14(7-8-16(15)20)19-17(21)13-6-5-11-3-1-2-4-12(11)9-13/h1-4,7-8,10,13,20H,5-6,9H2,(H,19,21).
What are the key properties of N-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 301.77 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 107126932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).