4-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide

C23H21FN2O3 — CID 24649020

IUPAC4-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(NC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H21FN2O3/c1-29-20-13-9-17(10-14-20)22(16-5-3-2-4-6-16)26-21(27)15-25-23(28)18-7-11-19(24)12-8-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyZJRBVCCQUXNYDM-UHFFFAOYSA-N
MW392.43 g/mol
LogP3.47
Rot. Bonds7

About 4-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide

4-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide (PubChem CID 24649020) has the molecular formula C23H21FN2O3 and a molecular weight of 392.43 g/mol. Its IUPAC name is 4-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
PubChem CID24649020
Molecular FormulaC23H21FN2O3
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name4-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(NC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc2)cc1
InChIInChI=1S/C23H21FN2O3/c1-29-20-13-9-17(10-14-20)22(16-5-3-2-4-6-16)26-21(27)15-25-23(28)18-7-11-19(24)12-8-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyZJRBVCCQUXNYDM-UHFFFAOYSA-N
XLogP3.47
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide (CID 24649020) is 4-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide is COc1ccc(C(NC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc2)cc1.
What is the InChIKey of 4-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is ZJRBVCCQUXNYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O3/c1-29-20-13-9-17(10-14-20)22(16-5-3-2-4-6-16)26-21(27)15-25-23(28)18-7-11-19(24)12-8-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 4-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 392.43 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[[(4-methoxyphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24649020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).