3-acetamido-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-fluorobenzamide

C21H24FN3O3 — CID 94525443

IUPAC3-acetamido-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-fluorobenzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)ccc1F
InChIInChI=1S/C21H24FN3O3/c1-13-11-25(12-14(2)28-13)20-7-5-4-6-18(20)24-21(27)16-8-9-17(22)19(10-16)23-15(3)26/h4-10,13-14H,11-12H2,1-3H3,(H,23,26)(H,24,27)/t13-,14-/m0/s1
InChIKeyFZVWWQKPUWOAMI-KBPBESRZSA-N
MW385.44 g/mol
LogP3.65
Rot. Bonds4

About 3-acetamido-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-fluorobenzamide

3-acetamido-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-fluorobenzamide (PubChem CID 94525443) has the molecular formula C21H24FN3O3 and a molecular weight of 385.44 g/mol. Its IUPAC name is 3-acetamido-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name3-acetamido-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-fluorobenzamide
PubChem CID94525443
Molecular FormulaC21H24FN3O3
Molecular Weight385.44 g/mol
Exact Mass385.18
IUPAC Name3-acetamido-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-fluorobenzamide
SMILESCC(=O)Nc1cc(C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)ccc1F
InChIInChI=1S/C21H24FN3O3/c1-13-11-25(12-14(2)28-13)20-7-5-4-6-18(20)24-21(27)16-8-9-17(22)19(10-16)23-15(3)26/h4-10,13-14H,11-12H2,1-3H3,(H,23,26)(H,24,27)/t13-,14-/m0/s1
InChIKeyFZVWWQKPUWOAMI-KBPBESRZSA-N
XLogP3.65
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide
CID 94622938
N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 97024246
3-acetamido-N-[2-(azepan-1-yl)phenyl]-4-methylbenzamide
CID 86998079
1-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-3-(4-hydroxyphenyl)urea
CID 124618726
3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 24979269
1-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-3-propylurea
CID 94154582
N-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-2-ethylsulfonylacetamide
CID 94469385
4-chloro-3-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(2-piperidin-1-ylphenyl)benzamide
CID 16545821
N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-5-nitrofuran-2-carboxamide
CID 60533512
(E)-N-[2-(2,6-dimethylmorpholin-4-yl)phenyl]-3-phenylprop-2-enamide
CID 60533436
(2S)-N-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]phenyl]-2-methylmorpholine-4-carboxamide
CID 94154647
1-(cyclopropylmethyl)-3-[2-(2,6-dimethylmorpholin-4-yl)phenyl]urea
CID 51085659

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-fluorobenzamide?
The IUPAC name of 3-acetamido-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-fluorobenzamide (CID 94525443) is 3-acetamido-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for 3-acetamido-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-fluorobenzamide?
The canonical SMILES for 3-acetamido-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-fluorobenzamide is CC(=O)Nc1cc(C(=O)Nc2ccccc2N2C[C@H](C)O[C@@H](C)C2)ccc1F.
What is the InChIKey of 3-acetamido-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-fluorobenzamide?
The InChIKey is FZVWWQKPUWOAMI-KBPBESRZSA-N. The full InChI is InChI=1S/C21H24FN3O3/c1-13-11-25(12-14(2)28-13)20-7-5-4-6-18(20)24-21(27)16-8-9-17(22)19(10-16)23-15(3)26/h4-10,13-14H,11-12H2,1-3H3,(H,23,26)(H,24,27)/t13-,14-/m0/s1.
What are the key properties of 3-acetamido-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-fluorobenzamide?
3-acetamido-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-fluorobenzamide has a molecular weight of 385.44 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 94525443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).