4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide

C21H23ClFN3O2 — CID 53057970

IUPAC4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESCC(C(=O)Nc1ccccc1Cl)C1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C21H23ClFN3O2/c1-14(20(27)25-19-5-3-2-4-18(19)22)15-10-12-26(13-11-15)21(28)24-17-8-6-16(23)7-9-17/h2-9,14-15H,10-13H2,1H3,(H,24,28)(H,25,27)
InChIKeyLTEDQYOAGKXRAV-UHFFFAOYSA-N
MW403.89 g/mol
LogP5.00
Rot. Bonds4

About 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide

4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide (PubChem CID 53057970) has the molecular formula C21H23ClFN3O2 and a molecular weight of 403.89 g/mol. Its IUPAC name is 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
PubChem CID53057970
Molecular FormulaC21H23ClFN3O2
Molecular Weight403.89 g/mol
Exact Mass403.15
IUPAC Name4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
SMILESCC(C(=O)Nc1ccccc1Cl)C1CCN(C(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C21H23ClFN3O2/c1-14(20(27)25-19-5-3-2-4-18(19)22)15-10-12-26(13-11-15)21(28)24-17-8-6-16(23)7-9-17/h2-9,14-15H,10-13H2,1H3,(H,24,28)(H,25,27)
InChIKeyLTEDQYOAGKXRAV-UHFFFAOYSA-N
XLogP5.00
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.89
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(2S)-1-(2-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065297
4-[(2S)-1-(2-fluoroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide
CID 95065481
N-(4-chlorophenyl)-4-[(2S)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 95065411
N-(4-chlorophenyl)-4-[1-(2-methoxyanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 53057939
4-[(2S)-1-(2-chloro-4-methylanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065281
4-[1-(3-chloro-4-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 53057885
N-(4-chlorophenyl)-4-[1-(2,4-dimethylanilino)-1-oxopropan-2-yl]piperidine-1-carboxamide
CID 53057941
4-[(2S)-1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-1-carboxamide
CID 95065335
4-[1-(4-acetylanilino)-1-oxopropan-2-yl]-N-(4-chlorophenyl)piperidine-1-carboxamide
CID 46295328
ethyl 3-[2-[1-[(4-fluorophenyl)carbamoyl]piperidin-4-yl]propanoylamino]benzoate
CID 53057988
N-(2-chlorophenyl)-2-(4-fluoroanilino)propanamide
CID 51242355
[(2R)-1-(4-fluoroanilino)-1-oxopropan-2-yl] 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836659

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The IUPAC name of 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide (CID 53057970) is 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide is CC(C(=O)Nc1ccccc1Cl)C1CCN(C(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
The InChIKey is LTEDQYOAGKXRAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O2/c1-14(20(27)25-19-5-3-2-4-18(19)22)15-10-12-26(13-11-15)21(28)24-17-8-6-16(23)7-9-17/h2-9,14-15H,10-13H2,1H3,(H,24,28)(H,25,27).
What are the key properties of 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide?
4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide has a molecular weight of 403.89 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chloroanilino)-1-oxopropan-2-yl]-N-(4-fluorophenyl)piperidine-1-carboxamide is sourced from PubChem (CID 53057970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).