[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate

C25H21FN2O4 — CID 55320929

IUPAC[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate
SMILESO=C(OC(C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C25H21FN2O4/c26-19-10-14-21(15-11-19)28-24(30)22(16-4-2-1-3-5-16)32-25(31)18-8-12-20(13-9-18)27-23(29)17-6-7-17/h1-5,8-15,17,22H,6-7H2,(H,27,29)(H,28,30)
InChIKeyOZAQJLAXYJWSSC-UHFFFAOYSA-N
MW432.45 g/mol
LogP4.71
Rot. Bonds7

About [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate

[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate (PubChem CID 55320929) has the molecular formula C25H21FN2O4 and a molecular weight of 432.45 g/mol. Its IUPAC name is [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate.

Molecular Properties

Compound Name[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate
PubChem CID55320929
Molecular FormulaC25H21FN2O4
Molecular Weight432.45 g/mol
Exact Mass432.15
IUPAC Name[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate
SMILESO=C(OC(C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C25H21FN2O4/c26-19-10-14-21(15-11-19)28-24(30)22(16-4-2-1-3-5-16)32-25(31)18-8-12-20(13-9-18)27-23(29)17-6-7-17/h1-5,8-15,17,22H,6-7H2,(H,27,29)(H,28,30)
InChIKeyOZAQJLAXYJWSSC-UHFFFAOYSA-N
XLogP4.71
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate with MolForge

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Related Compounds

[2-(4-methylanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 55320838
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(carbamoylamino)benzoate
CID 42971872
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-chlorobenzoate
CID 7890444
4-N-(4-fluorophenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150302
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-hydroxybenzoate
CID 2646591
[2-(2-chloro-4-nitroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate
CID 46792749
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 6-chloropyridine-3-carboxylate
CID 2646722
[2-oxo-1-phenyl-2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]ethyl] 4-fluorobenzoate
CID 154573595
[(1S)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2,6-difluorobenzoate
CID 7725604
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] propanoate
CID 42902056
[(1R)-2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 2-methylfuran-3-carboxylate
CID 7663789

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate?
The IUPAC name of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate (CID 55320929) is [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate.
What is the SMILES notation for [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate?
The canonical SMILES for [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate is O=C(OC(C(=O)Nc1ccc(F)cc1)c1ccccc1)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate?
The InChIKey is OZAQJLAXYJWSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O4/c26-19-10-14-21(15-11-19)28-24(30)22(16-4-2-1-3-5-16)32-25(31)18-8-12-20(13-9-18)27-23(29)17-6-7-17/h1-5,8-15,17,22H,6-7H2,(H,27,29)(H,28,30).
What are the key properties of [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate?
[2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate has a molecular weight of 432.45 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoroanilino)-2-oxo-1-phenylethyl] 4-(cyclopropanecarbonylamino)benzoate is sourced from PubChem (CID 55320929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).