2-chloro-N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]benzamide

C23H20ClFN2O3 — CID 134800174

IUPAC2-chloro-N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]benzamide
SMILESCOc1ccc(F)cc1-c1cccc(C(=O)NCCNC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C23H20ClFN2O3/c1-30-21-10-9-17(25)14-19(21)15-5-4-6-16(13-15)22(28)26-11-12-27-23(29)18-7-2-3-8-20(18)24/h2-10,13-14H,11-12H2,1H3,(H,26,28)(H,27,29)
InChIKeyUCJKNNZQOJFYGM-UHFFFAOYSA-N
MW426.88 g/mol
LogP4.31
Rot. Bonds7

About 2-chloro-N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]benzamide

2-chloro-N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]benzamide (PubChem CID 134800174) has the molecular formula C23H20ClFN2O3 and a molecular weight of 426.88 g/mol. Its IUPAC name is 2-chloro-N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]benzamide
PubChem CID134800174
Molecular FormulaC23H20ClFN2O3
Molecular Weight426.88 g/mol
Exact Mass426.11
IUPAC Name2-chloro-N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]benzamide
SMILESCOc1ccc(F)cc1-c1cccc(C(=O)NCCNC(=O)c2ccccc2Cl)c1
InChIInChI=1S/C23H20ClFN2O3/c1-30-21-10-9-17(25)14-19(21)15-5-4-6-16(13-15)22(28)26-11-12-27-23(29)18-7-2-3-8-20(18)24/h2-10,13-14H,11-12H2,1H3,(H,26,28)(H,27,29)
InChIKeyUCJKNNZQOJFYGM-UHFFFAOYSA-N
XLogP4.31
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.88
LogP ≤ 54.31
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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]benzamide?
The IUPAC name of 2-chloro-N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]benzamide (CID 134800174) is 2-chloro-N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]benzamide is COc1ccc(F)cc1-c1cccc(C(=O)NCCNC(=O)c2ccccc2Cl)c1.
What is the InChIKey of 2-chloro-N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]benzamide?
The InChIKey is UCJKNNZQOJFYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN2O3/c1-30-21-10-9-17(25)14-19(21)15-5-4-6-16(13-15)22(28)26-11-12-27-23(29)18-7-2-3-8-20(18)24/h2-10,13-14H,11-12H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-chloro-N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]benzamide?
2-chloro-N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]benzamide has a molecular weight of 426.88 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[[3-(5-fluoro-2-methoxyphenyl)benzoyl]amino]ethyl]benzamide is sourced from PubChem (CID 134800174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).