3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzamide

C18H16ClFN2O4 — CID 56774871

IUPAC3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzamide
SMILESO=C1COC[C@H]([C@H](O)c2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc2)N1
InChIInChI=1S/C18H16ClFN2O4/c19-13-7-11(3-6-14(13)20)18(25)21-12-4-1-10(2-5-12)17(24)15-8-26-9-16(23)22-15/h1-7,15,17,24H,8-9H2,(H,21,25)(H,22,23)/t15-,17-/m1/s1
InChIKeyHUKHYBIFRCTTNQ-NVXWUHKLSA-N
MW378.79 g/mol
LogP2.28
Rot. Bonds4

About 3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzamide

3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzamide (PubChem CID 56774871) has the molecular formula C18H16ClFN2O4 and a molecular weight of 378.79 g/mol. Its IUPAC name is 3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzamide
PubChem CID56774871
Molecular FormulaC18H16ClFN2O4
Molecular Weight378.79 g/mol
Exact Mass378.08
IUPAC Name3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzamide
SMILESO=C1COC[C@H]([C@H](O)c2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc2)N1
InChIInChI=1S/C18H16ClFN2O4/c19-13-7-11(3-6-14(13)20)18(25)21-12-4-1-10(2-5-12)17(24)15-8-26-9-16(23)22-15/h1-7,15,17,24H,8-9H2,(H,21,25)(H,22,23)/t15-,17-/m1/s1
InChIKeyHUKHYBIFRCTTNQ-NVXWUHKLSA-N
XLogP2.28
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.79
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzamide?
The IUPAC name of 3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzamide (CID 56774871) is 3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzamide.
What is the SMILES notation for 3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzamide?
The canonical SMILES for 3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzamide is O=C1COC[C@H]([C@H](O)c2ccc(NC(=O)c3ccc(F)c(Cl)c3)cc2)N1.
What is the InChIKey of 3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzamide?
The InChIKey is HUKHYBIFRCTTNQ-NVXWUHKLSA-N. The full InChI is InChI=1S/C18H16ClFN2O4/c19-13-7-11(3-6-14(13)20)18(25)21-12-4-1-10(2-5-12)17(24)15-8-26-9-16(23)22-15/h1-7,15,17,24H,8-9H2,(H,21,25)(H,22,23)/t15-,17-/m1/s1.
What are the key properties of 3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzamide?
3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzamide has a molecular weight of 378.79 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-N-[4-[(R)-hydroxy-[(3R)-5-oxomorpholin-3-yl]methyl]phenyl]benzamide is sourced from PubChem (CID 56774871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).