4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide

C22H26Cl2N2O2 — CID 3606775

IUPAC4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
SMILESO=C(NCCCCCCCCNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H26Cl2N2O2/c23-19-11-7-17(8-12-19)21(27)25-15-5-3-1-2-4-6-16-26-22(28)18-9-13-20(24)14-10-18/h7-14H,1-6,15-16H2,(H,25,27)(H,26,28)
InChIKeyZYHXVRKLBWZDEL-UHFFFAOYSA-N
MW421.37 g/mol
LogP5.49
Rot. Bonds11

About 4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide

4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide (PubChem CID 3606775) has the molecular formula C22H26Cl2N2O2 and a molecular weight of 421.37 g/mol. Its IUPAC name is 4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
PubChem CID3606775
Molecular FormulaC22H26Cl2N2O2
Molecular Weight421.37 g/mol
Exact Mass420.14
IUPAC Name4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide
SMILESO=C(NCCCCCCCCNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C22H26Cl2N2O2/c23-19-11-7-17(8-12-19)21(27)25-15-5-3-1-2-4-6-16-26-22(28)18-9-13-20(24)14-10-18/h7-14H,1-6,15-16H2,(H,25,27)(H,26,28)
InChIKeyZYHXVRKLBWZDEL-UHFFFAOYSA-N
XLogP5.49
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.37
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 107318437
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CID 2057490
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CID 10133172
2-[(4-chlorobenzoyl)amino]ethylcarbamic acid
CID 19741762
2-[(4-chlorobenzoyl)amino]ethylazanium chloride
CID 43834591
4-chloro-N-[3-(cyclopropylamino)propyl]benzamide
CID 43596460
4-chloro-N-(2-methoxyethyl)benzamide
CID 3457742
N-[3-(2-bromoethoxy)propyl]-4-chlorobenzamide
CID 106307307
1-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]benzene-1,4-dicarboxamide
CID 109043698
4-tert-butyl-N-[6-[(4-tert-butylbenzoyl)amino]hexyl]benzamide
CID 3415356
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CID 11459592
4-chloro-N-[2-(2-hydroxyethylamino)ethyl]benzamide
CID 3082615

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide?
The IUPAC name of 4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide (CID 3606775) is 4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide.
What is the SMILES notation for 4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide?
The canonical SMILES for 4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide is O=C(NCCCCCCCCNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide?
The InChIKey is ZYHXVRKLBWZDEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O2/c23-19-11-7-17(8-12-19)21(27)25-15-5-3-1-2-4-6-16-26-22(28)18-9-13-20(24)14-10-18/h7-14H,1-6,15-16H2,(H,25,27)(H,26,28).
What are the key properties of 4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide?
4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide has a molecular weight of 421.37 g/mol, XLogP of 5.49, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[8-[(4-chlorobenzoyl)amino]octyl]benzamide is sourced from PubChem (CID 3606775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).