2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide

C19H19FN4O3 — CID 2812685

IUPAC2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
SMILESO=C(CC1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C19H19FN4O3/c20-13-6-8-15(9-7-13)22-17(25)12-16-18(26)21-10-11-24(16)19(27)23-14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,21,26)(H,22,25)(H,23,27)
InChIKeyCZSHNTCGKXIIOR-UHFFFAOYSA-N
MW370.38 g/mol
LogP2.19
Rot. Bonds4

About 2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide

2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide (PubChem CID 2812685) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is 2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
PubChem CID2812685
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Name2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
SMILESO=C(CC1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1ccc(F)cc1
InChIInChI=1S/C19H19FN4O3/c20-13-6-8-15(9-7-13)22-17(25)12-16-18(26)21-10-11-24(16)19(27)23-14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,21,26)(H,22,25)(H,23,27)
InChIKeyCZSHNTCGKXIIOR-UHFFFAOYSA-N
XLogP2.19
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide (CID 2812685) is 2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide is O=C(CC1C(=O)NCCN1C(=O)Nc1ccccc1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide?
The InChIKey is CZSHNTCGKXIIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c20-13-6-8-15(9-7-13)22-17(25)12-16-18(26)21-10-11-24(16)19(27)23-14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,21,26)(H,22,25)(H,23,27).
What are the key properties of 2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide?
2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide has a molecular weight of 370.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 2812685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).