N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(4-phenylpiperazin-1-yl)ethyl]benzamide

C35H33N5O2 — CID 24753039

IUPACN-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(4-phenylpiperazin-1-yl)ethyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C(C(=O)Nc2ccc3ccccc3c2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C35H33N5O2/c36-31-12-6-7-13-32(31)38-34(41)27-16-14-26(15-17-27)33(40-22-20-39(21-23-40)30-10-2-1-3-11-30)35(42)37-29-19-18-25-8-4-5-9-28(25)24-29/h1-19,24,33H,20-23,36H2,(H,37,42)(H,38,41)
InChIKeyWPBSNVTXKCFCIY-UHFFFAOYSA-N
MW555.68 g/mol
LogP6.18
Rot. Bonds7

About N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(4-phenylpiperazin-1-yl)ethyl]benzamide

N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(4-phenylpiperazin-1-yl)ethyl]benzamide (PubChem CID 24753039) has the molecular formula C35H33N5O2 and a molecular weight of 555.68 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(4-phenylpiperazin-1-yl)ethyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(4-phenylpiperazin-1-yl)ethyl]benzamide
PubChem CID24753039
Molecular FormulaC35H33N5O2
Molecular Weight555.68 g/mol
Exact Mass555.26
IUPAC NameN-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(4-phenylpiperazin-1-yl)ethyl]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(C(C(=O)Nc2ccc3ccccc3c2)N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C35H33N5O2/c36-31-12-6-7-13-32(31)38-34(41)27-16-14-26(15-17-27)33(40-22-20-39(21-23-40)30-10-2-1-3-11-30)35(42)37-29-19-18-25-8-4-5-9-28(25)24-29/h1-19,24,33H,20-23,36H2,(H,37,42)(H,38,41)
InChIKeyWPBSNVTXKCFCIY-UHFFFAOYSA-N
XLogP6.18
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500555.68
LogP ≤ 56.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(4-phenylpiperazin-1-yl)ethyl]benzamide (CID 24753039) is N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(4-phenylpiperazin-1-yl)ethyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(4-phenylpiperazin-1-yl)ethyl]benzamide is Nc1ccccc1NC(=O)c1ccc(C(C(=O)Nc2ccc3ccccc3c2)N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(4-phenylpiperazin-1-yl)ethyl]benzamide?
The InChIKey is WPBSNVTXKCFCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N5O2/c36-31-12-6-7-13-32(31)38-34(41)27-16-14-26(15-17-27)33(40-22-20-39(21-23-40)30-10-2-1-3-11-30)35(42)37-29-19-18-25-8-4-5-9-28(25)24-29/h1-19,24,33H,20-23,36H2,(H,37,42)(H,38,41).
What are the key properties of N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(4-phenylpiperazin-1-yl)ethyl]benzamide?
N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(4-phenylpiperazin-1-yl)ethyl]benzamide has a molecular weight of 555.68 g/mol, XLogP of 6.18, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[2-(naphthalen-2-ylamino)-2-oxo-1-(4-phenylpiperazin-1-yl)ethyl]benzamide is sourced from PubChem (CID 24753039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).