2-cyclopropyl-2-(4-fluorophenyl)-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]acetamide

C23H25FN2O3 — CID 110614506

IUPAC2-cyclopropyl-2-(4-fluorophenyl)-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]acetamide
SMILESCC1CN(C(=O)c2cccc(NC(=O)C(c3ccc(F)cc3)C3CC3)c2)CCO1
InChIInChI=1S/C23H25FN2O3/c1-15-14-26(11-12-29-15)23(28)18-3-2-4-20(13-18)25-22(27)21(16-5-6-16)17-7-9-19(24)10-8-17/h2-4,7-10,13,15-16,21H,5-6,11-12,14H2,1H3,(H,25,27)
InChIKeySESRTSCDJBHTBB-UHFFFAOYSA-N
MW396.46 g/mol
LogP3.82
Rot. Bonds5

About 2-cyclopropyl-2-(4-fluorophenyl)-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]acetamide

2-cyclopropyl-2-(4-fluorophenyl)-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]acetamide (PubChem CID 110614506) has the molecular formula C23H25FN2O3 and a molecular weight of 396.46 g/mol. Its IUPAC name is 2-cyclopropyl-2-(4-fluorophenyl)-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyclopropyl-2-(4-fluorophenyl)-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]acetamide
PubChem CID110614506
Molecular FormulaC23H25FN2O3
Molecular Weight396.46 g/mol
Exact Mass396.18
IUPAC Name2-cyclopropyl-2-(4-fluorophenyl)-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]acetamide
SMILESCC1CN(C(=O)c2cccc(NC(=O)C(c3ccc(F)cc3)C3CC3)c2)CCO1
InChIInChI=1S/C23H25FN2O3/c1-15-14-26(11-12-29-15)23(28)18-3-2-4-20(13-18)25-22(27)21(16-5-6-16)17-7-9-19(24)10-8-17/h2-4,7-10,13,15-16,21H,5-6,11-12,14H2,1H3,(H,25,27)
InChIKeySESRTSCDJBHTBB-UHFFFAOYSA-N
XLogP3.82
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.46
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]benzamide
CID 46430432
2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352926
5-fluoro-2-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-1H-indole-3-carboxamide
CID 110614503
2,2-dimethyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]propanamide
CID 110352930
2-cyclopropyl-2-phenyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 110420849
N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-2-(2-methylphenyl)acetamide
CID 110671876
N-[3-(2-methylmorpholine-4-carbonyl)phenyl]adamantane-1-carboxamide
CID 110352983
1-benzyl-3-[3-(2-methylmorpholine-4-carbonyl)phenyl]urea
CID 110605020
3-(4-fluorophenyl)-N-[4-(2-methylmorpholine-4-carbonyl)phenyl]butanamide
CID 110620048
3-methyl-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-3-phenylbutanamide
CID 110426827
N-[3-[2-(4-fluorophenyl)morpholine-4-carbonyl]phenyl]methanesulfonamide
CID 134044195
N-[3-(2-methylmorpholine-4-carbonyl)phenyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)acetamide
CID 110614500

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(4-fluorophenyl)-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]acetamide?
The IUPAC name of 2-cyclopropyl-2-(4-fluorophenyl)-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]acetamide (CID 110614506) is 2-cyclopropyl-2-(4-fluorophenyl)-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-cyclopropyl-2-(4-fluorophenyl)-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-cyclopropyl-2-(4-fluorophenyl)-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]acetamide is CC1CN(C(=O)c2cccc(NC(=O)C(c3ccc(F)cc3)C3CC3)c2)CCO1.
What is the InChIKey of 2-cyclopropyl-2-(4-fluorophenyl)-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]acetamide?
The InChIKey is SESRTSCDJBHTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3/c1-15-14-26(11-12-29-15)23(28)18-3-2-4-20(13-18)25-22(27)21(16-5-6-16)17-7-9-19(24)10-8-17/h2-4,7-10,13,15-16,21H,5-6,11-12,14H2,1H3,(H,25,27).
What are the key properties of 2-cyclopropyl-2-(4-fluorophenyl)-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]acetamide?
2-cyclopropyl-2-(4-fluorophenyl)-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]acetamide has a molecular weight of 396.46 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(4-fluorophenyl)-N-[3-(2-methylmorpholine-4-carbonyl)phenyl]acetamide is sourced from PubChem (CID 110614506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).