N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide

C23H20Cl2N2O3 — CID 17235361

IUPACN-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20Cl2N2O3/c24-17-8-13-21(20(25)15-17)30-14-4-7-22(28)26-18-9-11-19(12-10-18)27-23(29)16-5-2-1-3-6-16/h1-3,5-6,8-13,15H,4,7,14H2,(H,26,28)(H,27,29)
InChIKeyBHTOCVDKWZZGQO-UHFFFAOYSA-N
MW443.33 g/mol
LogP6.04
Rot. Bonds8

About N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide

N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide (PubChem CID 17235361) has the molecular formula C23H20Cl2N2O3 and a molecular weight of 443.33 g/mol. Its IUPAC name is N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
PubChem CID17235361
Molecular FormulaC23H20Cl2N2O3
Molecular Weight443.33 g/mol
Exact Mass442.09
IUPAC NameN-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide
SMILESO=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2ccccc2)cc1
InChIInChI=1S/C23H20Cl2N2O3/c24-17-8-13-21(20(25)15-17)30-14-4-7-22(28)26-18-9-11-19(12-10-18)27-23(29)16-5-2-1-3-6-16/h1-3,5-6,8-13,15H,4,7,14H2,(H,26,28)(H,27,29)
InChIKeyBHTOCVDKWZZGQO-UHFFFAOYSA-N
XLogP6.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.33
LogP ≤ 56.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[[4-(2,4-dichlorophenoxy)butanoylcarbamothioylamino]carbamoyl]phenyl]benzamide
CID 3301009
4-[4-(2,4-dichlorophenoxy)butanoylamino]-N-(2-methoxyethyl)benzamide
CID 17218213
N-[4-[[[2-(2,4-dichlorophenoxy)acetyl]amino]carbamoyl]phenyl]benzamide
CID 3293473
4-(2,4-dichlorophenoxy)-N-(3-hydroxyphenyl)butanamide
CID 601178
4-(2,4-dichlorophenoxy)-N-(3,4-dimethoxyphenyl)butanamide
CID 2282471
N-(6-chloro-3-pyridinyl)-4-(2,4-dichlorophenoxy)butanamide
CID 54787916
4-(2,4-dichlorophenoxy)-N-(3,5-difluorophenyl)butanamide
CID 17271736
N'-[4-(2,4-dichlorophenoxy)butanoyl]-4-phenylbenzohydrazide
CID 3267153
4-(2,4-dichlorophenoxy)-N-[3-(propanoylamino)phenyl]butanamide
CID 17188242
N-(3-chloro-4-propoxyphenyl)benzamide
CID 47311781
6-(2,4-dichlorophenoxy)-1-phenylhexane-1,3-dione
CID 59520440
N,N'-bis(4-benzamidophenyl)hexanediamide
CID 17235924

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide?
The IUPAC name of N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide (CID 17235361) is N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide.
What is the SMILES notation for N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide?
The canonical SMILES for N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide is O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2ccccc2)cc1.
What is the InChIKey of N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide?
The InChIKey is BHTOCVDKWZZGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3/c24-17-8-13-21(20(25)15-17)30-14-4-7-22(28)26-18-9-11-19(12-10-18)27-23(29)16-5-2-1-3-6-16/h1-3,5-6,8-13,15H,4,7,14H2,(H,26,28)(H,27,29).
What are the key properties of N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide?
N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide has a molecular weight of 443.33 g/mol, XLogP of 6.04, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]phenyl]benzamide is sourced from PubChem (CID 17235361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).