4-(decanoylamino)-N-(2,6-dichlorophenyl)benzamide

C23H28Cl2N2O2 — CID 46501979

IUPAC4-(decanoylamino)-N-(2,6-dichlorophenyl)benzamide
SMILESCCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C23H28Cl2N2O2/c1-2-3-4-5-6-7-8-12-21(28)26-18-15-13-17(14-16-18)23(29)27-22-19(24)10-9-11-20(22)25/h9-11,13-16H,2-8,12H2,1H3,(H,26,28)(H,27,29)
InChIKeyJJYFJZQCMBXZID-UHFFFAOYSA-N
MW435.40 g/mol
LogP7.32
Rot. Bonds11

About 4-(decanoylamino)-N-(2,6-dichlorophenyl)benzamide

4-(decanoylamino)-N-(2,6-dichlorophenyl)benzamide (PubChem CID 46501979) has the molecular formula C23H28Cl2N2O2 and a molecular weight of 435.40 g/mol. Its IUPAC name is 4-(decanoylamino)-N-(2,6-dichlorophenyl)benzamide.

Molecular Properties

Compound Name4-(decanoylamino)-N-(2,6-dichlorophenyl)benzamide
PubChem CID46501979
Molecular FormulaC23H28Cl2N2O2
Molecular Weight435.40 g/mol
Exact Mass434.15
IUPAC Name4-(decanoylamino)-N-(2,6-dichlorophenyl)benzamide
SMILESCCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C23H28Cl2N2O2/c1-2-3-4-5-6-7-8-12-21(28)26-18-15-13-17(14-16-18)23(29)27-22-19(24)10-9-11-20(22)25/h9-11,13-16H,2-8,12H2,1H3,(H,26,28)(H,27,29)
InChIKeyJJYFJZQCMBXZID-UHFFFAOYSA-N
XLogP7.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.40
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(decanoylamino)-N-(2,6-dichlorophenyl)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

N-(2-chlorophenyl)-4-(octanoylamino)benzamide
CID 171980600
4-(decanoylamino)-N-(2,6-dimethylphenyl)benzamide
CID 3669912
N-(2,6-dichlorophenyl)decanamide
CID 3269237
4-(dodecanoylamino)-N-phenylbenzamide
CID 5109500
N-[4-(heptanoylamino)phenyl]benzamide
CID 54789055
N-[4-(icosanoylamino)phenyl]icosanamide
CID 101291044
N-(4-chlorophenyl)tridecanamide
CID 4195215
4-(decanoylamino)-N-nonylbenzamide
CID 3464563
N-[4-[(octanoylamino)carbamoyl]phenyl]pentanamide
CID 4958829
N-[4-[(hexanoylamino)carbamoyl]phenyl]pentanamide
CID 4953980
4-(hexanoylamino)-N-propylbenzamide
CID 17218821
4-(decanoylamino)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46500977

Frequently Asked Questions

What is the IUPAC name of 4-(decanoylamino)-N-(2,6-dichlorophenyl)benzamide?
The IUPAC name of 4-(decanoylamino)-N-(2,6-dichlorophenyl)benzamide (CID 46501979) is 4-(decanoylamino)-N-(2,6-dichlorophenyl)benzamide.
What is the SMILES notation for 4-(decanoylamino)-N-(2,6-dichlorophenyl)benzamide?
The canonical SMILES for 4-(decanoylamino)-N-(2,6-dichlorophenyl)benzamide is CCCCCCCCCC(=O)Nc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1.
What is the InChIKey of 4-(decanoylamino)-N-(2,6-dichlorophenyl)benzamide?
The InChIKey is JJYFJZQCMBXZID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N2O2/c1-2-3-4-5-6-7-8-12-21(28)26-18-15-13-17(14-16-18)23(29)27-22-19(24)10-9-11-20(22)25/h9-11,13-16H,2-8,12H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 4-(decanoylamino)-N-(2,6-dichlorophenyl)benzamide?
4-(decanoylamino)-N-(2,6-dichlorophenyl)benzamide has a molecular weight of 435.40 g/mol, XLogP of 7.32, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(decanoylamino)-N-(2,6-dichlorophenyl)benzamide is sourced from PubChem (CID 46501979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).