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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Related Compounds

1-[(3S)-5-cyclohexyl-2,4-dioxo-1-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5-benzodiazepin-3-yl]-3-(4-fluorophenyl)urea
CID 9914672
2-(3-Oxo-1,2,3,4-tetrahydroquinoxalin-2-yl)-N-phenylacetamide
CID 2829724
1-Phenyl-3-(1-propionylpiperidin-4-yl)urea
CID 47379737
1-[1-(3,3-Dimethylbutyl)-5-(2-fluorophenyl)-2,4-dioxo-1,5-benzodiazepin-3-yl]-3-phenylurea
CID 10696354
8-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 12763863
3-Anilino-1-phenylsuccinimide
CID 2792660
N-(4-fluorophenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 719590
N1-phenyl-2-(4-benzyl-3-oxo-2-piperazinyl)acetamide
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N-(2,4-difluorophenyl)-2-methyl-4-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carboxamide
CID 2814488
3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylpyrrolidine-2,5-dione
CID 2833555
2-(3-oxopiperazin-2-yl)-N-phenylacetamide
CID 2955672
N-(2-Fluoro-phenyl)-2-[4-(3-phenyl-ureido)-piperidin-1-yl]-acetamide
CID 3220954

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).