(2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide

C20H23F2N3O — CID 25389306

IUPAC(2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide
SMILESC[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C20H23F2N3O/c1-14(20(26)24-19-13-15(21)5-10-18(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)/t14-/m1/s1
InChIKeySSHKMKDEMSEMFH-CQSZACIVSA-N
MW359.42 g/mol
LogP4.39
Rot. Bonds5

About (2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide

(2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide (PubChem CID 25389306) has the molecular formula C20H23F2N3O and a molecular weight of 359.42 g/mol. Its IUPAC name is (2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide
PubChem CID25389306
Molecular FormulaC20H23F2N3O
Molecular Weight359.42 g/mol
Exact Mass359.18
IUPAC Name(2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide
SMILESC[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cc(F)ccc1F
InChIInChI=1S/C20H23F2N3O/c1-14(20(26)24-19-13-15(21)5-10-18(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)/t14-/m1/s1
InChIKeySSHKMKDEMSEMFH-CQSZACIVSA-N
XLogP4.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 54.39
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

N-(4-chloro-2-fluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide
CID 45355486
N'-(2,5-difluorophenyl)-N-(4-piperidin-1-ylphenyl)oxamide
CID 108527766
2-(4-acetamidoanilino)-N-(4-piperidin-1-ylphenyl)propanamide
CID 134062601
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
(2S)-2-(4-chloroanilino)-N-(2-chloro-4-fluorophenyl)propanamide
CID 7928544
2-(4-pyrrolidin-1-ylanilino)propanoic acid
CID 63179408
(2R)-N-(3-fluorophenyl)-2-[4-(4-methylpiperidin-1-yl)anilino]propanamide
CID 25352661
N-(2-fluoro-5-morpholin-4-ylphenyl)-2-methylpropanamide
CID 110362575
N-propyl-2-(4-pyrrolidin-1-ylanilino)propanamide
CID 60676702

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide?
The IUPAC name of (2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide (CID 25389306) is (2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide.
What is the SMILES notation for (2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide?
The canonical SMILES for (2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide is C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)Nc1cc(F)ccc1F.
What is the InChIKey of (2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide?
The InChIKey is SSHKMKDEMSEMFH-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23F2N3O/c1-14(20(26)24-19-13-15(21)5-10-18(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)/t14-/m1/s1.
What are the key properties of (2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide?
(2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide has a molecular weight of 359.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,5-difluorophenyl)-2-(4-piperidin-1-ylanilino)propanamide is sourced from PubChem (CID 25389306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).