N-[4-(4-amino-2-fluoroanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide

C24H25FN4O2 — CID 67112608

IUPACN-[4-(4-amino-2-fluoroanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESNc1ccc(Nc2ccc(NC(=O)c3ccc(N4CCC(O)CC4)cc3)cc2)c(F)c1
InChIInChI=1S/C24H25FN4O2/c25-22-15-17(26)3-10-23(22)27-18-4-6-19(7-5-18)28-24(31)16-1-8-20(9-2-16)29-13-11-21(30)12-14-29/h1-10,15,21,27,30H,11-14,26H2,(H,28,31)
InChIKeyADIXRUMGIHGKJO-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.36
Rot. Bonds5

About N-[4-(4-amino-2-fluoroanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide

N-[4-(4-amino-2-fluoroanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide (PubChem CID 67112608) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[4-(4-amino-2-fluoroanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(4-amino-2-fluoroanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
PubChem CID67112608
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC NameN-[4-(4-amino-2-fluoroanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESNc1ccc(Nc2ccc(NC(=O)c3ccc(N4CCC(O)CC4)cc3)cc2)c(F)c1
InChIInChI=1S/C24H25FN4O2/c25-22-15-17(26)3-10-23(22)27-18-4-6-19(7-5-18)28-24(31)16-1-8-20(9-2-16)29-13-11-21(30)12-14-29/h1-10,15,21,27,30H,11-14,26H2,(H,28,31)
InChIKeyADIXRUMGIHGKJO-UHFFFAOYSA-N
XLogP4.36
TPSA90.62 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-(4-aminoanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67112995
N-[3-fluoro-4-[2-fluoro-4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-1H-pyrrole-3-carboxamide
CID 67112864
N-[4-[2-chloro-4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67114493
N-[3-fluoro-4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-1,5-dimethylpyrrole-2-carboxamide
CID 67113275
N-[4-[2-fluoro-4-[[4-[(3R)-3-hydroxypyrrolidin-1-yl]benzoyl]amino]anilino]phenyl]-1-methylpyrrole-3-carboxamide
CID 67687656
N-[3-fluoro-4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-2,4-dimethyl-1,3-dihydropyrrole-2-carboxamide
CID 154283380
N-(4-chlorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331512
N-[4-(2-cyano-4-pyrrol-1-ylanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 141334534
N-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-1H-pyrrole-3-carboxamide
CID 67114265
N-[3-chloro-4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]-1H-indole-5-carboxamide
CID 67113306
N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 167931145
1-[4-[4-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]anilino]phenyl]indole-6-carboxamide
CID 174703326

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-2-fluoroanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The IUPAC name of N-[4-(4-amino-2-fluoroanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide (CID 67112608) is N-[4-(4-amino-2-fluoroanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide.
What is the SMILES notation for N-[4-(4-amino-2-fluoroanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The canonical SMILES for N-[4-(4-amino-2-fluoroanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide is Nc1ccc(Nc2ccc(NC(=O)c3ccc(N4CCC(O)CC4)cc3)cc2)c(F)c1.
What is the InChIKey of N-[4-(4-amino-2-fluoroanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide?
The InChIKey is ADIXRUMGIHGKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c25-22-15-17(26)3-10-23(22)27-18-4-6-19(7-5-18)28-24(31)16-1-8-20(9-2-16)29-13-11-21(30)12-14-29/h1-10,15,21,27,30H,11-14,26H2,(H,28,31).
What are the key properties of N-[4-(4-amino-2-fluoroanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide?
N-[4-(4-amino-2-fluoroanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide has a molecular weight of 420.49 g/mol, XLogP of 4.36, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-2-fluoroanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide is sourced from PubChem (CID 67112608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).