1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea

C16H22FN3O2 — CID 47042942

IUPAC1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea
SMILESCC1CN(c2ccc(NC(=O)NC3CC3)cc2F)CC(C)O1
InChIInChI=1S/C16H22FN3O2/c1-10-8-20(9-11(2)22-10)15-6-5-13(7-14(15)17)19-16(21)18-12-3-4-12/h5-7,10-12H,3-4,8-9H2,1-2H3,(H2,18,19,21)
InChIKeyUAHSWNCKSZDVMV-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.72
Rot. Bonds3

About 1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea

1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea (PubChem CID 47042942) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea.

Molecular Properties

Compound Name1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea
PubChem CID47042942
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea
SMILESCC1CN(c2ccc(NC(=O)NC3CC3)cc2F)CC(C)O1
InChIInChI=1S/C16H22FN3O2/c1-10-8-20(9-11(2)22-10)15-6-5-13(7-14(15)17)19-16(21)18-12-3-4-12/h5-7,10-12H,3-4,8-9H2,1-2H3,(H2,18,19,21)
InChIKeyUAHSWNCKSZDVMV-UHFFFAOYSA-N
XLogP2.72
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94647091
N'-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-N-(1-pyrimidin-2-ylpiperidin-4-yl)oxamide
CID 55750500
N-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]-4-(propan-2-ylsulfonylamino)cyclohexane-1-carboxamide
CID 20630080
N-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]morpholine-4-carboxamide
CID 94189690
N-[3-[[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]carbamoylamino]methyl]phenyl]acetamide
CID 55747141
1-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]-3-(5-hydroxy-2,2-dimethylpentyl)urea
CID 97256038
1-[2-[4-(2,6-dimethylmorpholin-4-yl)-3-fluoroanilino]-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 75461653
1-[2-(1,3-benzodioxol-5-yl)propan-2-yl]-3-[4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]urea
CID 52531359
3-amino-N-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]pyrazine-2-carboxamide
CID 94184034
1-[2-(4-chlorophenyl)sulfonylethyl]-3-[4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-fluorophenyl]urea
CID 52507747

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea?
The IUPAC name of 1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea (CID 47042942) is 1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea.
What is the SMILES notation for 1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea?
The canonical SMILES for 1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea is CC1CN(c2ccc(NC(=O)NC3CC3)cc2F)CC(C)O1.
What is the InChIKey of 1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea?
The InChIKey is UAHSWNCKSZDVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-10-8-20(9-11(2)22-10)15-6-5-13(7-14(15)17)19-16(21)18-12-3-4-12/h5-7,10-12H,3-4,8-9H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea?
1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea has a molecular weight of 307.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]urea is sourced from PubChem (CID 47042942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).