N-(2-aminophenyl)-4-[1-[3-(2-fluoroanilino)-3-oxopropyl]piperidin-4-yl]benzamide

C27H29FN4O2 — CID 25023856

IUPACN-(2-aminophenyl)-4-[1-[3-(2-fluoroanilino)-3-oxopropyl]piperidin-4-yl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C2CCN(CCC(=O)Nc3ccccc3F)CC2)cc1
InChIInChI=1S/C27H29FN4O2/c28-22-5-1-3-7-24(22)30-26(33)15-18-32-16-13-20(14-17-32)19-9-11-21(12-10-19)27(34)31-25-8-4-2-6-23(25)29/h1-12,20H,13-18,29H2,(H,30,33)(H,31,34)
InChIKeyBMMXYTGQGZIMDY-UHFFFAOYSA-N
MW460.55 g/mol
LogP4.87
Rot. Bonds7

About N-(2-aminophenyl)-4-[1-[3-(2-fluoroanilino)-3-oxopropyl]piperidin-4-yl]benzamide

N-(2-aminophenyl)-4-[1-[3-(2-fluoroanilino)-3-oxopropyl]piperidin-4-yl]benzamide (PubChem CID 25023856) has the molecular formula C27H29FN4O2 and a molecular weight of 460.55 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[1-[3-(2-fluoroanilino)-3-oxopropyl]piperidin-4-yl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[1-[3-(2-fluoroanilino)-3-oxopropyl]piperidin-4-yl]benzamide
PubChem CID25023856
Molecular FormulaC27H29FN4O2
Molecular Weight460.55 g/mol
Exact Mass460.23
IUPAC NameN-(2-aminophenyl)-4-[1-[3-(2-fluoroanilino)-3-oxopropyl]piperidin-4-yl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C2CCN(CCC(=O)Nc3ccccc3F)CC2)cc1
InChIInChI=1S/C27H29FN4O2/c28-22-5-1-3-7-24(22)30-26(33)15-18-32-16-13-20(14-17-32)19-9-11-21(12-10-19)27(34)31-25-8-4-2-6-23(25)29/h1-12,20H,13-18,29H2,(H,30,33)(H,31,34)
InChIKeyBMMXYTGQGZIMDY-UHFFFAOYSA-N
XLogP4.87
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.87
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

1-(4-((3-Fluorophenyl)amino)-1-piperidinyl)-2-(4-(((3S)-3-methyl-1-piperazinyl)methyl)phenyl)ethanone
CID 15984937
RG-2833
CID 56654642
Azd-2327
CID 11525765
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-{8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaen-14-yl}acetamide
CID 11202184
N-(2-amino-5-phenylphenyl)-4-{1,8-diazaspiro[4.5]decan-8-ylmethyl}benzamide
CID 24746277
N-(2-aminophenyl)-4-(1-methylpiperidin-4-yl)benzamide
CID 25023852
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CID 25105711
N-(2-amino-5-phenylphenyl)-4-{2,8-diazaspiro[4.5]decan-8-ylmethyl}benzamide
CID 25218554
N-(2-amino-5-phenylphenyl)-4-{1,8-diazaspiro[4.5]decan-8-ylcarbonyl}benzamide
CID 25218563
N-(4-amino-4''-fluorobiphenyl-3-yl)benzamide
CID 46830345
N-(2-aminophenyl)-4-[(3,4-dihydro-4-methylene-1-oxo-2(1H)-isoquinolinyl)methyl]-benzamide
CID 56965342
5-benzyl-3-fluoro-11H-benzo[b][1,4]benzodiazepin-6-one
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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[1-[3-(2-fluoroanilino)-3-oxopropyl]piperidin-4-yl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[1-[3-(2-fluoroanilino)-3-oxopropyl]piperidin-4-yl]benzamide (CID 25023856) is N-(2-aminophenyl)-4-[1-[3-(2-fluoroanilino)-3-oxopropyl]piperidin-4-yl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[1-[3-(2-fluoroanilino)-3-oxopropyl]piperidin-4-yl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[1-[3-(2-fluoroanilino)-3-oxopropyl]piperidin-4-yl]benzamide is Nc1ccccc1NC(=O)c1ccc(C2CCN(CCC(=O)Nc3ccccc3F)CC2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[1-[3-(2-fluoroanilino)-3-oxopropyl]piperidin-4-yl]benzamide?
The InChIKey is BMMXYTGQGZIMDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O2/c28-22-5-1-3-7-24(22)30-26(33)15-18-32-16-13-20(14-17-32)19-9-11-21(12-10-19)27(34)31-25-8-4-2-6-23(25)29/h1-12,20H,13-18,29H2,(H,30,33)(H,31,34).
What are the key properties of N-(2-aminophenyl)-4-[1-[3-(2-fluoroanilino)-3-oxopropyl]piperidin-4-yl]benzamide?
N-(2-aminophenyl)-4-[1-[3-(2-fluoroanilino)-3-oxopropyl]piperidin-4-yl]benzamide has a molecular weight of 460.55 g/mol, XLogP of 4.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[1-[3-(2-fluoroanilino)-3-oxopropyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 25023856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).