4-fluoro-N-[2-[[(3-methylphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide

C23H21FN2O2 — CID 24900236

IUPAC4-fluoro-N-[2-[[(3-methylphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
SMILESCc1cccc(C(NC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc2)c1
InChIInChI=1S/C23H21FN2O2/c1-16-6-5-9-19(14-16)22(17-7-3-2-4-8-17)26-21(27)15-25-23(28)18-10-12-20(24)13-11-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyKHTDXOMKTZIILK-UHFFFAOYSA-N
MW376.43 g/mol
LogP3.77
Rot. Bonds6

About 4-fluoro-N-[2-[[(3-methylphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide

4-fluoro-N-[2-[[(3-methylphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide (PubChem CID 24900236) has the molecular formula C23H21FN2O2 and a molecular weight of 376.43 g/mol. Its IUPAC name is 4-fluoro-N-[2-[[(3-methylphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[[(3-methylphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
PubChem CID24900236
Molecular FormulaC23H21FN2O2
Molecular Weight376.43 g/mol
Exact Mass376.16
IUPAC Name4-fluoro-N-[2-[[(3-methylphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide
SMILESCc1cccc(C(NC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc2)c1
InChIInChI=1S/C23H21FN2O2/c1-16-6-5-9-19(14-16)22(17-7-3-2-4-8-17)26-21(27)15-25-23(28)18-10-12-20(24)13-11-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27)
InChIKeyKHTDXOMKTZIILK-UHFFFAOYSA-N
XLogP3.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[[(3-methylphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The IUPAC name of 4-fluoro-N-[2-[[(3-methylphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide (CID 24900236) is 4-fluoro-N-[2-[[(3-methylphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[2-[[(3-methylphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The canonical SMILES for 4-fluoro-N-[2-[[(3-methylphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide is Cc1cccc(C(NC(=O)CNC(=O)c2ccc(F)cc2)c2ccccc2)c1.
What is the InChIKey of 4-fluoro-N-[2-[[(3-methylphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
The InChIKey is KHTDXOMKTZIILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O2/c1-16-6-5-9-19(14-16)22(17-7-3-2-4-8-17)26-21(27)15-25-23(28)18-10-12-20(24)13-11-18/h2-14,22H,15H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 4-fluoro-N-[2-[[(3-methylphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide?
4-fluoro-N-[2-[[(3-methylphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide has a molecular weight of 376.43 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[[(3-methylphenyl)-phenylmethyl]amino]-2-oxoethyl]benzamide is sourced from PubChem (CID 24900236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).