N-(4-chloro-2-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide

C20H23ClFN3O — CID 45355486

IUPACN-(4-chloro-2-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide
SMILESCC(Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C20H23ClFN3O/c1-14(20(26)24-19-10-5-15(21)13-18(19)22)23-16-6-8-17(9-7-16)25-11-3-2-4-12-25/h5-10,13-14,23H,2-4,11-12H2,1H3,(H,24,26)
InChIKeyWDCZOWVAAXTWSE-UHFFFAOYSA-N
MW375.88 g/mol
LogP4.91
Rot. Bonds5

About N-(4-chloro-2-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide

N-(4-chloro-2-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide (PubChem CID 45355486) has the molecular formula C20H23ClFN3O and a molecular weight of 375.88 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide
PubChem CID45355486
Molecular FormulaC20H23ClFN3O
Molecular Weight375.88 g/mol
Exact Mass375.15
IUPAC NameN-(4-chloro-2-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide
SMILESCC(Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(Cl)cc1F
InChIInChI=1S/C20H23ClFN3O/c1-14(20(26)24-19-10-5-15(21)13-18(19)22)23-16-6-8-17(9-7-16)25-11-3-2-4-12-25/h5-10,13-14,23H,2-4,11-12H2,1H3,(H,24,26)
InChIKeyWDCZOWVAAXTWSE-UHFFFAOYSA-N
XLogP4.91
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.88
LogP ≤ 54.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

(2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide
CID 25389306
2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 134062601
(2S)-2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)propanamide
CID 9249888
N-(2-fluoro-5-pyrrolidin-1-ylphenyl)-2-methylpropanamide
CID 110361779
(2S)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
CID 40809509
(2R)-N-tert-butyl-2-(4-piperidin-1-ylanilino)propanamide
CID 40809510
N-ethyl-2-(4-piperidin-1-ylanilino)propanamide
CID 60673103
2-(4-chloroanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 4968842
(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7928544
2-(4-pyrrolidin-1-ylanilino)propanoic acid
CID 63179408
2-(4-chloro-2-fluorophenyl)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100516600
3-[[1-(4-chloro-2-fluoroanilino)-1-oxopropan-2-yl]amino]-N-methylbenzamide
CID 51243989

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide (CID 45355486) is N-(4-chloro-2-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide is CC(Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1ccc(Cl)cc1F.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide?
The InChIKey is WDCZOWVAAXTWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClFN3O/c1-14(20(26)24-19-10-5-15(21)13-18(19)22)23-16-6-8-17(9-7-16)25-11-3-2-4-12-25/h5-10,13-14,23H,2-4,11-12H2,1H3,(H,24,26).
What are the key properties of N-(4-chloro-2-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide?
N-(4-chloro-2-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide has a molecular weight of 375.88 g/mol, XLogP of 4.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide is sourced from PubChem (CID 45355486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).