N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide

C17H24FN3O3 — CID 94189690

IUPACN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(c2ccc(NC(=O)N3CCOCC3)cc2F)C[C@H](C)O1
InChIInChI=1S/C17H24FN3O3/c1-12-10-21(11-13(2)24-12)16-4-3-14(9-15(16)18)19-17(22)20-5-7-23-8-6-20/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,19,22)/t12-,13+
InChIKeyMRDQZADYZQISEI-BETUJISGSA-N
MW337.40 g/mol
LogP2.30
Rot. Bonds2

About N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide

N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide (PubChem CID 94189690) has the molecular formula C17H24FN3O3 and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide
PubChem CID94189690
Molecular FormulaC17H24FN3O3
Molecular Weight337.40 g/mol
Exact Mass337.18
IUPAC NameN-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide
SMILESC[C@@H]1CN(c2ccc(NC(=O)N3CCOCC3)cc2F)C[C@H](C)O1
InChIInChI=1S/C17H24FN3O3/c1-12-10-21(11-13(2)24-12)16-4-3-14(9-15(16)18)19-17(22)20-5-7-23-8-6-20/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,19,22)/t12-,13+
InChIKeyMRDQZADYZQISEI-BETUJISGSA-N
XLogP2.30
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

methyl (3R)-1-[[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]carbamoyl]piperidine-3-carboxylate
CID 100866593
1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea
CID 47042942
ethane;N-(3-fluoro-4-morpholin-4-ylphenyl)acetamide
CID 145422161
N-(4-chloro-3-fluorophenyl)morpholine-4-carboxamide
CID 47223545
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-prop-2-enylurea
CID 94189699
1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-(2-methoxyethyl)urea
CID 94189672
1-[2-[4-(2,6-dimethylmorpholin-4-yl)-3-fluoroanilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 75461653
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94647091
N-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-5-nitrofuran-2-carboxamide
CID 94084965
4-(3-fluorobenzoyl)-N-(3-fluoro-4-morpholin-4-ylphenyl)piperazine-1-carboxamide
CID 25094760
3-amino-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyrazine-2-carboxamide
CID 94184034
1-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]urea
CID 95329562

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide?
The IUPAC name of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide (CID 94189690) is N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide?
The canonical SMILES for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide is C[C@@H]1CN(c2ccc(NC(=O)N3CCOCC3)cc2F)C[C@H](C)O1.
What is the InChIKey of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide?
The InChIKey is MRDQZADYZQISEI-BETUJISGSA-N. The full InChI is InChI=1S/C17H24FN3O3/c1-12-10-21(11-13(2)24-12)16-4-3-14(9-15(16)18)19-17(22)20-5-7-23-8-6-20/h3-4,9,12-13H,5-8,10-11H2,1-2H3,(H,19,22)/t12-,13+.
What are the key properties of N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide?
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide is sourced from PubChem (CID 94189690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).