(2R)-N-(2,4-difluorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide

C19H17F3N4O3 — CID 6975937

IUPAC(2R)-N-(2,4-difluorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
SMILESO=C(C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(F)cc1F)Nc1ccc(F)cc1
InChIInChI=1S/C19H17F3N4O3/c20-11-1-4-13(5-2-11)24-17(27)10-16-18(28)23-7-8-26(16)19(29)25-15-6-3-12(21)9-14(15)22/h1-6,9,16H,7-8,10H2,(H,23,28)(H,24,27)(H,25,29)/t16-/m1/s1
InChIKeyAAIOXXIRNCHNMB-MRXNPFEDSA-N
MW406.36 g/mol
LogP2.46
Rot. Bonds4

About (2R)-N-(2,4-difluorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide

(2R)-N-(2,4-difluorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide (PubChem CID 6975937) has the molecular formula C19H17F3N4O3 and a molecular weight of 406.36 g/mol. Its IUPAC name is (2R)-N-(2,4-difluorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2,4-difluorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
PubChem CID6975937
Molecular FormulaC19H17F3N4O3
Molecular Weight406.36 g/mol
Exact Mass406.13
IUPAC Name(2R)-N-(2,4-difluorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
SMILESO=C(C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(F)cc1F)Nc1ccc(F)cc1
InChIInChI=1S/C19H17F3N4O3/c20-11-1-4-13(5-2-11)24-17(27)10-16-18(28)23-7-8-26(16)19(29)25-15-6-3-12(21)9-14(15)22/h1-6,9,16H,7-8,10H2,(H,23,28)(H,24,27)(H,25,29)/t16-/m1/s1
InChIKeyAAIOXXIRNCHNMB-MRXNPFEDSA-N
XLogP2.46
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.36
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-[1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 17039233
2-[(2R)-1-[2-(4-ethylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]-N-(4-fluorophenyl)acetamide
CID 29111560
N-(4-fluorophenyl)-2-[(2R)-1-[2-(4-methylpiperazin-1-yl)acetyl]-3-oxopiperazin-2-yl]acetamide
CID 29044636
(2R)-N-(3-chlorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide
CID 40769227
N-(4-chlorophenyl)-2-[(2S)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 29104548
2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
CID 2981650
N-(4-acetamidophenyl)-2-[1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]acetamide
CID 43864608
N-(4-acetamidophenyl)-2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide
CID 97033698
N-(4-acetamidophenyl)-2-[1-(2-chloroacetyl)-3-oxopiperazin-2-yl]acetamide
CID 71668630
ethyl 4-[[2-[(2S)-1-(ethylcarbamoyl)-3-oxopiperazin-2-yl]acetyl]amino]benzoate
CID 7126577
2-[(2S)-1-[2-[4-(4-fluorophenyl)piperazin-1-yl]acetyl]-3-oxopiperazin-2-yl]-N-(4-methylphenyl)acetamide
CID 29104282
N'-(2,4-difluorophenyl)-N-(4-fluorophenyl)propanediamide
CID 108954847

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,4-difluorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The IUPAC name of (2R)-N-(2,4-difluorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide (CID 6975937) is (2R)-N-(2,4-difluorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2,4-difluorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The canonical SMILES for (2R)-N-(2,4-difluorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide is O=C(C[C@@H]1C(=O)NCCN1C(=O)Nc1ccc(F)cc1F)Nc1ccc(F)cc1.
What is the InChIKey of (2R)-N-(2,4-difluorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
The InChIKey is AAIOXXIRNCHNMB-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H17F3N4O3/c20-11-1-4-13(5-2-11)24-17(27)10-16-18(28)23-7-8-26(16)19(29)25-15-6-3-12(21)9-14(15)22/h1-6,9,16H,7-8,10H2,(H,23,28)(H,24,27)(H,25,29)/t16-/m1/s1.
What are the key properties of (2R)-N-(2,4-difluorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide?
(2R)-N-(2,4-difluorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide has a molecular weight of 406.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,4-difluorophenyl)-2-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazine-1-carboxamide is sourced from PubChem (CID 6975937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).