N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide

C18H20FN3O2 — CID 167931145

IUPACN-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESNc1ccc(F)cc1NC(=O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C18H20FN3O2/c19-13-3-6-16(20)17(11-13)21-18(24)12-1-4-14(5-2-12)22-9-7-15(23)8-10-22/h1-6,11,15,23H,7-10,20H2,(H,21,24)
InChIKeyWEKKJXOYABRGSJ-UHFFFAOYSA-N
MW329.38 g/mol
LogP2.62
Rot. Bonds3

About N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide

N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide (PubChem CID 167931145) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
PubChem CID167931145
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC NameN-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
SMILESNc1ccc(F)cc1NC(=O)c1ccc(N2CCC(O)CC2)cc1
InChIInChI=1S/C18H20FN3O2/c19-13-3-6-16(20)17(11-13)21-18(24)12-1-4-14(5-2-12)22-9-7-15(23)8-10-22/h1-6,11,15,23H,7-10,20H2,(H,21,24)
InChIKeyWEKKJXOYABRGSJ-UHFFFAOYSA-N
XLogP2.62
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 52.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-fluorophenyl)-4-[3-(methoxymethyl)pyrrolidin-1-yl]benzamide
CID 167815058
N-(2-amino-5-phenylphenyl)-4-[(3S)-3-hydroxypyrrolidin-1-yl]benzamide
CID 59737305
N-[4-(4-amino-2-fluoroanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67112608
N-(2-amino-5-methylphenyl)-4-(4-methylpiperazin-1-yl)benzamide
CID 59737553
N-(2,4-difluorophenyl)-4-morpholin-4-ylbenzamide
CID 53282259
N-(2,3-dimethylphenyl)-4-(4-hydroxypiperidin-1-yl)benzamide
CID 111331495
N-[4-(4-aminoanilino)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67112995
4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N-(2,4-difluorophenyl)benzamide
CID 110426763
N-(2-amino-5-phenylphenyl)-4-[(3R)-3-aminopyrrolidin-1-yl]benzamide
CID 59737562
5-(4-carbamoylpiperidin-1-yl)-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 50782723
2-[(4-fluorobenzoyl)amino]-5-[4-(4-fluorophenyl)piperazin-1-yl]benzoic acid
CID 50782097
2-[(4-fluorobenzoyl)amino]-5-(4-methylpiperidin-1-yl)benzoic acid
CID 50782697

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide (CID 167931145) is N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide is Nc1ccc(F)cc1NC(=O)c1ccc(N2CCC(O)CC2)cc1.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide?
The InChIKey is WEKKJXOYABRGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c19-13-3-6-16(20)17(11-13)21-18(24)12-1-4-14(5-2-12)22-9-7-15(23)8-10-22/h1-6,11,15,23H,7-10,20H2,(H,21,24).
What are the key properties of N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide?
N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide has a molecular weight of 329.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-4-(4-hydroxypiperidin-1-yl)benzamide is sourced from PubChem (CID 167931145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).