N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide

C24H22ClFN2O3 — CID 134799272

IUPACN-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide
SMILESCOc1ccc(F)cc1-c1cccc(C(=O)NCCNC(=O)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C24H22ClFN2O3/c1-31-22-9-8-20(26)15-21(22)17-5-3-6-18(14-17)24(30)28-11-10-27-23(29)13-16-4-2-7-19(25)12-16/h2-9,12,14-15H,10-11,13H2,1H3,(H,27,29)(H,28,30)
InChIKeyUVUYNQNIJOXSSV-UHFFFAOYSA-N
MW440.90 g/mol
LogP4.24
Rot. Bonds8

About N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide

N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide (PubChem CID 134799272) has the molecular formula C24H22ClFN2O3 and a molecular weight of 440.90 g/mol. Its IUPAC name is N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide.

Molecular Properties

Compound NameN-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide
PubChem CID134799272
Molecular FormulaC24H22ClFN2O3
Molecular Weight440.90 g/mol
Exact Mass440.13
IUPAC NameN-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide
SMILESCOc1ccc(F)cc1-c1cccc(C(=O)NCCNC(=O)Cc2cccc(Cl)c2)c1
InChIInChI=1S/C24H22ClFN2O3/c1-31-22-9-8-20(26)15-21(22)17-5-3-6-18(14-17)24(30)28-11-10-27-23(29)13-16-4-2-7-19(25)12-16/h2-9,12,14-15H,10-11,13H2,1H3,(H,27,29)(H,28,30)
InChIKeyUVUYNQNIJOXSSV-UHFFFAOYSA-N
XLogP4.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.90
LogP ≤ 54.24
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 N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide?
The IUPAC name of N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide (CID 134799272) is N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide.
What is the SMILES notation for N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide?
The canonical SMILES for N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide is COc1ccc(F)cc1-c1cccc(C(=O)NCCNC(=O)Cc2cccc(Cl)c2)c1.
What is the InChIKey of N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide?
The InChIKey is UVUYNQNIJOXSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN2O3/c1-31-22-9-8-20(26)15-21(22)17-5-3-6-18(14-17)24(30)28-11-10-27-23(29)13-16-4-2-7-19(25)12-16/h2-9,12,14-15H,10-11,13H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide?
N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide has a molecular weight of 440.90 g/mol, XLogP of 4.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3-chlorophenyl)acetyl]amino]ethyl]-3-(5-fluoro-2-methoxyphenyl)benzamide is sourced from PubChem (CID 134799272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).