2,6-dichloro-N-[(4-hydroxy-2-naphthalen-1-ylphenyl)carbamoyl]benzamide

C24H16Cl2N2O3 — CID 57300424

IUPAC2,6-dichloro-N-[(4-hydroxy-2-naphthalen-1-ylphenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(O)cc1-c1cccc2ccccc12
InChIInChI=1S/C24H16Cl2N2O3/c25-19-9-4-10-20(26)22(19)23(30)28-24(31)27-21-12-11-15(29)13-18(21)17-8-3-6-14-5-1-2-7-16(14)17/h1-13,29H,(H2,27,28,30,31)
InChIKeyLYFBNABQZKKXKV-UHFFFAOYSA-N
MW451.31 g/mol
LogP6.48
Rot. Bonds3

About 2,6-dichloro-N-[(4-hydroxy-2-naphthalen-1-ylphenyl)carbamoyl]benzamide

2,6-dichloro-N-[(4-hydroxy-2-naphthalen-1-ylphenyl)carbamoyl]benzamide (PubChem CID 57300424) has the molecular formula C24H16Cl2N2O3 and a molecular weight of 451.31 g/mol. Its IUPAC name is 2,6-dichloro-N-[(4-hydroxy-2-naphthalen-1-ylphenyl)carbamoyl]benzamide.

Molecular Properties

Compound Name2,6-dichloro-N-[(4-hydroxy-2-naphthalen-1-ylphenyl)carbamoyl]benzamide
PubChem CID57300424
Molecular FormulaC24H16Cl2N2O3
Molecular Weight451.31 g/mol
Exact Mass450.05
IUPAC Name2,6-dichloro-N-[(4-hydroxy-2-naphthalen-1-ylphenyl)carbamoyl]benzamide
SMILESO=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(O)cc1-c1cccc2ccccc12
InChIInChI=1S/C24H16Cl2N2O3/c25-19-9-4-10-20(26)22(19)23(30)28-24(31)27-21-12-11-15(29)13-18(21)17-8-3-6-14-5-1-2-7-16(14)17/h1-13,29H,(H2,27,28,30,31)
InChIKeyLYFBNABQZKKXKV-UHFFFAOYSA-N
XLogP6.48
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.31
LogP ≤ 56.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-N-[(4-hydroxy-2-naphthalen-1-ylphenyl)carbamoyl]benzamide 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

2,6-dichloro-N-[(2-propylphenyl)carbamoyl]benzamide
CID 21197441
2,6-dichloro-N-[(4-naphthalen-1-yloxyphenyl)carbamoyl]benzamide
CID 23455386
2,6-dichloro-N-[(2,4,6-trichloroanilino)carbamoyl]benzamide
CID 2798573
2-chloro-N-[[4-(difluoromethyl)-2-fluorophenyl]carbamoyl]-6-fluorobenzamide
CID 69401733
2-chloro-N-(naphthalen-1-ylcarbamoyl)acetamide
CID 12609099
3-(ethylamino)-4-naphthalen-1-ylphenol
CID 151296576
2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide
CID 4052856
2-chloro-6-fluoro-N-[(4-naphthalen-1-ylsulfanylphenyl)carbamoyl]benzamide
CID 57245040
2,6-dichloro-N-[(6-chloroquinoxalin-2-yl)carbamoyl]benzamide
CID 21313128
2-[(2-chlorophenyl)carbamoylamino]-5-hydroxybenzoic acid
CID 61405952
5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid
CID 10427632
3-naphthalen-1-yl-4-nitrophenol
CID 57178069

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[(4-hydroxy-2-naphthalen-1-ylphenyl)carbamoyl]benzamide?
The IUPAC name of 2,6-dichloro-N-[(4-hydroxy-2-naphthalen-1-ylphenyl)carbamoyl]benzamide (CID 57300424) is 2,6-dichloro-N-[(4-hydroxy-2-naphthalen-1-ylphenyl)carbamoyl]benzamide.
What is the SMILES notation for 2,6-dichloro-N-[(4-hydroxy-2-naphthalen-1-ylphenyl)carbamoyl]benzamide?
The canonical SMILES for 2,6-dichloro-N-[(4-hydroxy-2-naphthalen-1-ylphenyl)carbamoyl]benzamide is O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1ccc(O)cc1-c1cccc2ccccc12.
What is the InChIKey of 2,6-dichloro-N-[(4-hydroxy-2-naphthalen-1-ylphenyl)carbamoyl]benzamide?
The InChIKey is LYFBNABQZKKXKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16Cl2N2O3/c25-19-9-4-10-20(26)22(19)23(30)28-24(31)27-21-12-11-15(29)13-18(21)17-8-3-6-14-5-1-2-7-16(14)17/h1-13,29H,(H2,27,28,30,31).
What are the key properties of 2,6-dichloro-N-[(4-hydroxy-2-naphthalen-1-ylphenyl)carbamoyl]benzamide?
2,6-dichloro-N-[(4-hydroxy-2-naphthalen-1-ylphenyl)carbamoyl]benzamide has a molecular weight of 451.31 g/mol, XLogP of 6.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[(4-hydroxy-2-naphthalen-1-ylphenyl)carbamoyl]benzamide is sourced from PubChem (CID 57300424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).