N-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide

C20H22F2N4O2 — CID 96564267

IUPACN-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C20H22F2N4O2/c1-14(19(27)24-18-16(21)8-5-9-17(18)22)23-20(28)26-12-10-25(11-13-26)15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H,23,28)(H,24,27)/t14-/m1/s1
InChIKeyOPFZGMJQJWKGTC-CQSZACIVSA-N
MW388.42 g/mol
LogP2.82
Rot. Bonds4

About N-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide

N-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide (PubChem CID 96564267) has the molecular formula C20H22F2N4O2 and a molecular weight of 388.42 g/mol. Its IUPAC name is N-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
PubChem CID96564267
Molecular FormulaC20H22F2N4O2
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC NameN-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
SMILESC[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1c(F)cccc1F
InChIInChI=1S/C20H22F2N4O2/c1-14(19(27)24-18-16(21)8-5-9-17(18)22)23-20(28)26-12-10-25(11-13-26)15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H,23,28)(H,24,27)/t14-/m1/s1
InChIKeyOPFZGMJQJWKGTC-CQSZACIVSA-N
XLogP2.82
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-1-[(2-fluorophenyl)methylamino]-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52899407
N-[(2S)-1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52897814
N-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395003
N-[(2R)-1-oxo-1-(pyridin-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395341
N-[(2R)-1-oxo-1-(1,3,4-thiadiazol-2-ylamino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95394943
N-[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 52902639
N-[(2S)-1-oxo-1-(3,4,5-trimethoxyanilino)propan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829736
N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 71829787
N-(2-chloro-6-fluorophenyl)-4-phenylpiperazine-1-carboxamide
CID 108896638
N-[(2R)-1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 95395725
N-[1-(1,3-benzothiazol-2-ylamino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide
CID 53371206
4-(4-fluorophenyl)-N-[(2R)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperazine-1-carboxamide
CID 95395014

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide (CID 96564267) is N-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide is C[C@@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide?
The InChIKey is OPFZGMJQJWKGTC-CQSZACIVSA-N. The full InChI is InChI=1S/C20H22F2N4O2/c1-14(19(27)24-18-16(21)8-5-9-17(18)22)23-20(28)26-12-10-25(11-13-26)15-6-3-2-4-7-15/h2-9,14H,10-13H2,1H3,(H,23,28)(H,24,27)/t14-/m1/s1.
What are the key properties of N-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide?
N-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(2,6-difluoroanilino)-1-oxopropan-2-yl]-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 96564267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).