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

C19H21FN4O2 — CID 17397265

IUPAC4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccccc2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C19H21FN4O2/c20-15-5-4-8-17(13-15)21-18(25)14-23-9-11-24(12-10-23)19(26)22-16-6-2-1-3-7-16/h1-8,13H,9-12,14H2,(H,21,25)(H,22,26)
InChIKeyVCYDTUYFOQEJLQ-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.61
Rot. Bonds4

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

4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide (PubChem CID 17397265) has the molecular formula C19H21FN4O2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound Name4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
PubChem CID17397265
Molecular FormulaC19H21FN4O2
Molecular Weight356.40 g/mol
Exact Mass356.16
IUPAC Name4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide
SMILESO=C(CN1CCN(C(=O)Nc2ccccc2)CC1)Nc1cccc(F)c1
InChIInChI=1S/C19H21FN4O2/c20-15-5-4-8-17(13-15)21-18(25)14-23-9-11-24(12-10-23)19(26)22-16-6-2-1-3-7-16/h1-8,13H,9-12,14H2,(H,21,25)(H,22,26)
InChIKeyVCYDTUYFOQEJLQ-UHFFFAOYSA-N
XLogP2.61
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[2-(3-fluoroanilino)-2-oxoethyl]piperazine-1-carboxylate
CID 2654273
N-(3-fluorophenyl)-2-[4-(2-methylpropanoyl)piperazin-1-yl]acetamide
CID 27855792
4-[(3-fluorophenyl)methyl]-N-phenylpiperazine-1-carboxamide
CID 71456901
1-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 9134379
2-(4-benzyl-1,4-diazepan-1-yl)-N-(3-fluorophenyl)acetamide
CID 16618233
4-[2-(4-fluoroanilino)-2-oxoethyl]-N-(3-sulfamoylphenyl)piperazine-1-carboxamide
CID 55684313
N-(3-fluorophenyl)-2-[4-(4-methylbenzoyl)piperazin-1-yl]acetamide
CID 17449744
N-(3-fluorophenyl)-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 9020103
2-[4-[(E)-but-2-enoyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 9020095
N-(3-fluorophenyl)-2-[4-(4-phenoxybutanoyl)piperazin-1-yl]acetamide
CID 9020203
N-(3-fluorophenyl)-2-(4-prop-2-enylpiperazin-1-yl)acetamide
CID 8711083
N-(3-fluorophenyl)pyrrolidine-1-carboxamide
CID 6469622

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide?
The IUPAC name of 4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide (CID 17397265) is 4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide.
What is the SMILES notation for 4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide?
The canonical SMILES for 4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide is O=C(CN1CCN(C(=O)Nc2ccccc2)CC1)Nc1cccc(F)c1.
What is the InChIKey of 4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide?
The InChIKey is VCYDTUYFOQEJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O2/c20-15-5-4-8-17(13-15)21-18(25)14-23-9-11-24(12-10-23)19(26)22-16-6-2-1-3-7-16/h1-8,13H,9-12,14H2,(H,21,25)(H,22,26).
What are the key properties of 4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide?
4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide has a molecular weight of 356.40 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-fluoroanilino)-2-oxoethyl]-N-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 17397265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).