N-(2-aminophenyl)-4-[2-(4-chloroanilino)-1-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzamide

C27H30ClN5O2 — CID 24752952

IUPACN-(2-aminophenyl)-4-[2-(4-chloroanilino)-1-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzamide
SMILESCCN1CCN(C(C(=O)Nc2ccc(Cl)cc2)c2ccc(C(=O)Nc3ccccc3N)cc2)CC1
InChIInChI=1S/C27H30ClN5O2/c1-2-32-15-17-33(18-16-32)25(27(35)30-22-13-11-21(28)12-14-22)19-7-9-20(10-8-19)26(34)31-24-6-4-3-5-23(24)29/h3-14,25H,2,15-18,29H2,1H3,(H,30,35)(H,31,34)
InChIKeyPSKIXQJYBNQSCC-UHFFFAOYSA-N
MW492.02 g/mol
LogP4.49
Rot. Bonds7

About N-(2-aminophenyl)-4-[2-(4-chloroanilino)-1-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzamide

N-(2-aminophenyl)-4-[2-(4-chloroanilino)-1-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzamide (PubChem CID 24752952) has the molecular formula C27H30ClN5O2 and a molecular weight of 492.02 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[2-(4-chloroanilino)-1-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[2-(4-chloroanilino)-1-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzamide
PubChem CID24752952
Molecular FormulaC27H30ClN5O2
Molecular Weight492.02 g/mol
Exact Mass491.21
IUPAC NameN-(2-aminophenyl)-4-[2-(4-chloroanilino)-1-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzamide
SMILESCCN1CCN(C(C(=O)Nc2ccc(Cl)cc2)c2ccc(C(=O)Nc3ccccc3N)cc2)CC1
InChIInChI=1S/C27H30ClN5O2/c1-2-32-15-17-33(18-16-32)25(27(35)30-22-13-11-21(28)12-14-22)19-7-9-20(10-8-19)26(34)31-24-6-4-3-5-23(24)29/h3-14,25H,2,15-18,29H2,1H3,(H,30,35)(H,31,34)
InChIKeyPSKIXQJYBNQSCC-UHFFFAOYSA-N
XLogP4.49
TPSA90.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.02
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-5-phenylphenyl)-4-[2-(4-chloroanilino)-1-(4-methylpiperazin-1-yl)-2-oxoethyl]benzamide
CID 24753122
N-(2-aminophenyl)-2-(4-ethylpiperazin-1-yl)propanamide
CID 16787878
1-[1-(4-chlorophenyl)ethyl]-3-[2-(4-ethylpiperazin-1-yl)phenyl]urea
CID 55695945
4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
2-(4-chlorophenyl)-N-(4-methylphenyl)-2-piperidin-1-ylacetamide
CID 3904428
N-(2-amino-5-phenylphenyl)-4-[3-(4-chloroanilino)-2-(4-methylpiperazin-1-yl)-3-oxopropyl]benzamide
CID 24753299
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
(2S)-N-(2-ethoxyphenyl)-2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 7928314
2-(4-chlorophenyl)-N-(2-methylphenyl)-2-pyrrolidin-1-ylacetamide
CID 3520877
N-(2-aminophenyl)-4-[[3,3-dimethyl-2-(2-oxopyrrolidin-1-yl)butanoyl]amino]benzamide
CID 68776056
2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 86915510
N-(2-aminophenyl)-4-(1-propylpiperidin-4-yl)benzamide
CID 163507029

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[2-(4-chloroanilino)-1-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[2-(4-chloroanilino)-1-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzamide (CID 24752952) is N-(2-aminophenyl)-4-[2-(4-chloroanilino)-1-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[2-(4-chloroanilino)-1-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[2-(4-chloroanilino)-1-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzamide is CCN1CCN(C(C(=O)Nc2ccc(Cl)cc2)c2ccc(C(=O)Nc3ccccc3N)cc2)CC1.
What is the InChIKey of N-(2-aminophenyl)-4-[2-(4-chloroanilino)-1-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzamide?
The InChIKey is PSKIXQJYBNQSCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O2/c1-2-32-15-17-33(18-16-32)25(27(35)30-22-13-11-21(28)12-14-22)19-7-9-20(10-8-19)26(34)31-24-6-4-3-5-23(24)29/h3-14,25H,2,15-18,29H2,1H3,(H,30,35)(H,31,34).
What are the key properties of N-(2-aminophenyl)-4-[2-(4-chloroanilino)-1-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzamide?
N-(2-aminophenyl)-4-[2-(4-chloroanilino)-1-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzamide has a molecular weight of 492.02 g/mol, XLogP of 4.49, 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-(4-chloroanilino)-1-(4-ethylpiperazin-1-yl)-2-oxoethyl]benzamide is sourced from PubChem (CID 24752952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).