(3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide

C18H17F2N3O2 — CID 97341230

IUPAC(3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CC[C@@H](C(=O)Nc2ccccc2Nc2ccc(F)cc2F)CN1
InChIInChI=1S/C18H17F2N3O2/c19-12-6-7-14(13(20)9-12)22-15-3-1-2-4-16(15)23-18(25)11-5-8-17(24)21-10-11/h1-4,6-7,9,11,22H,5,8,10H2,(H,21,24)(H,23,25)/t11-/m1/s1
InChIKeyDLZRDTDQSKNVBT-LLVKDONJSA-N
MW345.35 g/mol
LogP3.17
Rot. Bonds4

About (3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide

(3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide (PubChem CID 97341230) has the molecular formula C18H17F2N3O2 and a molecular weight of 345.35 g/mol. Its IUPAC name is (3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide
PubChem CID97341230
Molecular FormulaC18H17F2N3O2
Molecular Weight345.35 g/mol
Exact Mass345.13
IUPAC Name(3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide
SMILESO=C1CC[C@@H](C(=O)Nc2ccccc2Nc2ccc(F)cc2F)CN1
InChIInChI=1S/C18H17F2N3O2/c19-12-6-7-14(13(20)9-12)22-15-3-1-2-4-16(15)23-18(25)11-5-8-17(24)21-10-11/h1-4,6-7,9,11,22H,5,8,10H2,(H,21,24)(H,23,25)/t11-/m1/s1
InChIKeyDLZRDTDQSKNVBT-LLVKDONJSA-N
XLogP3.17
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.35
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide
CID 78281148
2,4-difluoro-5-[(6-oxopiperidine-3-carbonyl)amino]benzoic acid
CID 76876658
N-[2-(difluoromethylsulfanyl)phenyl]-6-oxopiperidine-3-carboxamide
CID 112729117
N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 76871965
N-(3,4-difluorophenyl)-6-oxopiperidine-3-carboxamide
CID 78594911
N-(2-nitrophenyl)-6-oxopiperidine-3-carboxamide
CID 76872950
1-N,4-N-bis(2,4-difluorophenyl)cyclohexane-1,4-dicarboxamide
CID 26722049
(3R)-N-(5-chloro-2-piperidin-1-ylphenyl)-6-oxopiperidine-3-carboxamide
CID 97076746
N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 79040523
3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid
CID 107272548
2-fluoro-6-[(5-oxopyrrolidine-3-carbonyl)amino]benzoic acid
CID 83192341
N-(5-fluoro-1,2,3,4-tetrahydroisoquinolin-6-yl)-6-oxopiperidine-3-carboxamide
CID 120883928

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide (CID 97341230) is (3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide is O=C1CC[C@@H](C(=O)Nc2ccccc2Nc2ccc(F)cc2F)CN1.
What is the InChIKey of (3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide?
The InChIKey is DLZRDTDQSKNVBT-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17F2N3O2/c19-12-6-7-14(13(20)9-12)22-15-3-1-2-4-16(15)23-18(25)11-5-8-17(24)21-10-11/h1-4,6-7,9,11,22H,5,8,10H2,(H,21,24)(H,23,25)/t11-/m1/s1.
What are the key properties of (3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide?
(3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide has a molecular weight of 345.35 g/mol, XLogP of 3.17, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(2,4-difluoroanilino)phenyl]-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 97341230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).