3-fluoro-N-[(5S)-5-[(3-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide

C20H22F2N2O3 — CID 118988704

IUPAC3-fluoro-N-[(5S)-5-[(3-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide
SMILESO=C(NCCCC[C@@H](CO)NC(=O)c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C20H22F2N2O3/c21-16-7-3-5-14(11-16)19(26)23-10-2-1-9-18(13-25)24-20(27)15-6-4-8-17(22)12-15/h3-8,11-12,18,25H,1-2,9-10,13H2,(H,23,26)(H,24,27)/t18-/m0/s1
InChIKeyADZPCBFCRBZEDS-SFHVURJKSA-N
MW376.40 g/mol
LogP2.66
Rot. Bonds9

About 3-fluoro-N-[(5S)-5-[(3-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide

3-fluoro-N-[(5S)-5-[(3-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide (PubChem CID 118988704) has the molecular formula C20H22F2N2O3 and a molecular weight of 376.40 g/mol. Its IUPAC name is 3-fluoro-N-[(5S)-5-[(3-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[(5S)-5-[(3-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide
PubChem CID118988704
Molecular FormulaC20H22F2N2O3
Molecular Weight376.40 g/mol
Exact Mass376.16
IUPAC Name3-fluoro-N-[(5S)-5-[(3-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide
SMILESO=C(NCCCC[C@@H](CO)NC(=O)c1cccc(F)c1)c1cccc(F)c1
InChIInChI=1S/C20H22F2N2O3/c21-16-7-3-5-14(11-16)19(26)23-10-2-1-9-18(13-25)24-20(27)15-6-4-8-17(22)12-15/h3-8,11-12,18,25H,1-2,9-10,13H2,(H,23,26)(H,24,27)/t18-/m0/s1
InChIKeyADZPCBFCRBZEDS-SFHVURJKSA-N
XLogP2.66
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 52.66
H-Bond Donors ≤ 53
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 3-fluoro-N-[(5S)-5-[(3-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide?
The IUPAC name of 3-fluoro-N-[(5S)-5-[(3-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide (CID 118988704) is 3-fluoro-N-[(5S)-5-[(3-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[(5S)-5-[(3-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide?
The canonical SMILES for 3-fluoro-N-[(5S)-5-[(3-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide is O=C(NCCCC[C@@H](CO)NC(=O)c1cccc(F)c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[(5S)-5-[(3-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide?
The InChIKey is ADZPCBFCRBZEDS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22F2N2O3/c21-16-7-3-5-14(11-16)19(26)23-10-2-1-9-18(13-25)24-20(27)15-6-4-8-17(22)12-15/h3-8,11-12,18,25H,1-2,9-10,13H2,(H,23,26)(H,24,27)/t18-/m0/s1.
What are the key properties of 3-fluoro-N-[(5S)-5-[(3-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide?
3-fluoro-N-[(5S)-5-[(3-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide has a molecular weight of 376.40 g/mol, XLogP of 2.66, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(5S)-5-[(3-fluorobenzoyl)amino]-6-hydroxyhexyl]benzamide is sourced from PubChem (CID 118988704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).