N-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide

C16H15Cl2NO2 — CID 82881123

IUPACN-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1
InChIInChI=1S/C16H15Cl2NO2/c1-10-3-2-4-11(7-10)5-6-15(20)19-12-8-13(17)16(21)14(18)9-12/h2-4,7-9,21H,5-6H2,1H3,(H,19,20)
InChIKeyGZZVAERVXDMYLD-UHFFFAOYSA-N
MW324.21 g/mol
LogP4.58
Rot. Bonds4

About N-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide

N-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide (PubChem CID 82881123) has the molecular formula C16H15Cl2NO2 and a molecular weight of 324.21 g/mol. Its IUPAC name is N-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide
PubChem CID82881123
Molecular FormulaC16H15Cl2NO2
Molecular Weight324.21 g/mol
Exact Mass323.05
IUPAC NameN-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide
SMILESCc1cccc(CCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1
InChIInChI=1S/C16H15Cl2NO2/c1-10-3-2-4-11(7-10)5-6-15(20)19-12-8-13(17)16(21)14(18)9-12/h2-4,7-9,21H,5-6H2,1H3,(H,19,20)
InChIKeyGZZVAERVXDMYLD-UHFFFAOYSA-N
XLogP4.58
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.21
LogP ≤ 54.58
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)-3-(3-methylphenyl)propanamide 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-(3,5-dimethoxyphenyl)-3-(3-methylphenyl)propanamide
CID 51276940
N-[4-(2-chloroethyl)phenyl]-3-(3-methylphenyl)propanamide
CID 114299156
N-(4-amino-2-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62367069
N-(2-bromo-3-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 103479751
N-(3-amino-5-fluorophenyl)-3-(3-methylphenyl)propanamide
CID 107333898
N-(2-hydroxy-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 47128848
N-[4-[(2-cyanoacetyl)amino]phenyl]-3-(3-methylphenyl)propanamide
CID 108922603
N-(3-amino-4-methylphenyl)-3-(3-methylphenyl)propanamide
CID 62058474
N-(4-carbamothioylphenyl)-3-(3-methylphenyl)propanamide
CID 62365344
N-(2,6-difluorophenyl)-3-(3-methylphenyl)propanamide
CID 51277484
N-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)propanamide
CID 122301589
N-(2-amino-5-chlorophenyl)-3-(3-methylphenyl)propanamide
CID 62366718

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide?
The IUPAC name of N-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide (CID 82881123) is N-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide.
What is the SMILES notation for N-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide?
The canonical SMILES for N-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide is Cc1cccc(CCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1.
What is the InChIKey of N-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide?
The InChIKey is GZZVAERVXDMYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2/c1-10-3-2-4-11(7-10)5-6-15(20)19-12-8-13(17)16(21)14(18)9-12/h2-4,7-9,21H,5-6H2,1H3,(H,19,20).
What are the key properties of N-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide?
N-(3,5-dichloro-4-hydroxyphenyl)-3-(3-methylphenyl)propanamide has a molecular weight of 324.21 g/mol, XLogP of 4.58, 4 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)-3-(3-methylphenyl)propanamide is sourced from PubChem (CID 82881123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).