N-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide

C16H13Cl2NO2 — CID 106704006

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)C1Cc2ccccc2C1
InChIInChI=1S/C16H13Cl2NO2/c17-13-7-12(8-14(18)15(13)20)19-16(21)11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11,20H,5-6H2,(H,19,21)
InChIKeyMVJFMFDFCOYZPD-UHFFFAOYSA-N
MW322.19 g/mol
LogP4.05
Rot. Bonds2

About N-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide

N-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide (PubChem CID 106704006) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
PubChem CID106704006
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)C1Cc2ccccc2C1
InChIInChI=1S/C16H13Cl2NO2/c17-13-7-12(8-14(18)15(13)20)19-16(21)11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11,20H,5-6H2,(H,19,21)
InChIKeyMVJFMFDFCOYZPD-UHFFFAOYSA-N
XLogP4.05
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-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-phenyl-2,3-dihydro-1H-indene-2-carboxamide
CID 112520410
N-(2,6-dichlorophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 112525347
N-(3-chloro-4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126932
N-(3-fluoro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106893109
N-(4-bromo-3-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107620504
(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide
CID 107680359
N-(2-hydroxy-4-methylphenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106703052
N-(4-hydroxyphenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126922
N-(3,5-dichloro-4-hydroxyphenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 108798823
N-(5-amino-2-chlorophenyl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107126097
N-[4-(2-bromoethyl)phenyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106894261
N-(5-chloro-2-cyanophenyl)-2,3-dihydro-1H-indene-2-carboxamide
CID 106892899

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide (CID 106704006) is N-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide is O=C(Nc1cc(Cl)c(O)c(Cl)c1)C1Cc2ccccc2C1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
The InChIKey is MVJFMFDFCOYZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c17-13-7-12(8-14(18)15(13)20)19-16(21)11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11,20H,5-6H2,(H,19,21).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide?
N-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide has a molecular weight of 322.19 g/mol, XLogP of 4.05, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichloro-4-hydroxyphenyl)-2,3-dihydro-1H-indene-2-carboxamide is sourced from PubChem (CID 106704006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).