2-chloro-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide

C26H26ClN3O3 — CID 25161579

IUPAC2-chloro-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(NC(CC(=O)N1CCN(c2ccccc2O)CC1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C26H26ClN3O3/c27-21-11-5-4-10-20(21)26(33)28-22(19-8-2-1-3-9-19)18-25(32)30-16-14-29(15-17-30)23-12-6-7-13-24(23)31/h1-13,22,31H,14-18H2,(H,28,33)
InChIKeyQLMYALLOZQTNGE-UHFFFAOYSA-N
MW463.97 g/mol
LogP4.26
Rot. Bonds6

About 2-chloro-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide

2-chloro-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide (PubChem CID 25161579) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is 2-chloro-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
PubChem CID25161579
Molecular FormulaC26H26ClN3O3
Molecular Weight463.97 g/mol
Exact Mass463.17
IUPAC Name2-chloro-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
SMILESO=C(NC(CC(=O)N1CCN(c2ccccc2O)CC1)c1ccccc1)c1ccccc1Cl
InChIInChI=1S/C26H26ClN3O3/c27-21-11-5-4-10-20(21)26(33)28-22(19-8-2-1-3-9-19)18-25(32)30-16-14-29(15-17-30)23-12-6-7-13-24(23)31/h1-13,22,31H,14-18H2,(H,28,33)
InChIKeyQLMYALLOZQTNGE-UHFFFAOYSA-N
XLogP4.26
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.97
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-hydroxyphenyl)piperazin-1-yl]-2-oxoethyl]benzamide
CID 2447572
4-chloro-N-[4-(2-hydroxy-4-methylanilino)-4-oxobutyl]benzamide
CID 24238589
(3R)-N-[(2R)-3-(4-chlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 11179914
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-N-(2-phenylethyl)benzamide
CID 16329178
N-(2-chlorophenyl)-3-[4-(2-hydroxyphenyl)piperazine-1-carbonyl]benzenesulfonamide
CID 25162618
1-benzoyl-N-(2-hydroxyphenyl)-3,4-dihydro-2H-quinoline-2-carboxamide
CID 92131170
2-chloro-N-(2-hydroxyphenyl)benzamide
CID 307291
N-(2-hydroxy-5-phenylphenyl)-4-(piperazin-1-ylmethyl)benzamide
CID 25159051
[4-[4-(2-Hydroxyphenyl)piperazine-1-carbonyl]phenyl]-phenylmethanone
CID 2527095
N~1~,N~1~-dicyclohexyl-N~4~-(2-hydroxyphenyl)terephthalamide
CID 4131563
2-[[2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 16317323
2-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide
CID 16320986

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The IUPAC name of 2-chloro-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide (CID 25161579) is 2-chloro-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide.
What is the SMILES notation for 2-chloro-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The canonical SMILES for 2-chloro-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide is O=C(NC(CC(=O)N1CCN(c2ccccc2O)CC1)c1ccccc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
The InChIKey is QLMYALLOZQTNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c27-21-11-5-4-10-20(21)26(33)28-22(19-8-2-1-3-9-19)18-25(32)30-16-14-29(15-17-30)23-12-6-7-13-24(23)31/h1-13,22,31H,14-18H2,(H,28,33).
What are the key properties of 2-chloro-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide?
2-chloro-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide has a molecular weight of 463.97 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[4-(2-hydroxyphenyl)piperazin-1-yl]-3-oxo-1-phenylpropyl]benzamide is sourced from PubChem (CID 25161579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).