4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide

C17H19Cl2N5O2 — CID 141459382

IUPAC4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)N1CCN(c2cc(Cl)ncn2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2N5O2/c18-13-3-1-12(2-4-13)17(26)20-10-16(25)24-7-5-23(6-8-24)15-9-14(19)21-11-22-15/h1-4,9,11,16,25H,5-8,10H2,(H,20,26)
InChIKeyOZEMSJRNFRYZMA-UHFFFAOYSA-N
MW396.28 g/mol
LogP1.65
Rot. Bonds5

About 4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide

4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide (PubChem CID 141459382) has the molecular formula C17H19Cl2N5O2 and a molecular weight of 396.28 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide
PubChem CID141459382
Molecular FormulaC17H19Cl2N5O2
Molecular Weight396.28 g/mol
Exact Mass395.09
IUPAC Name4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide
SMILESO=C(NCC(O)N1CCN(c2cc(Cl)ncn2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H19Cl2N5O2/c18-13-3-1-12(2-4-13)17(26)20-10-16(25)24-7-5-23(6-8-24)15-9-14(19)21-11-22-15/h1-4,9,11,16,25H,5-8,10H2,(H,20,26)
InChIKeyOZEMSJRNFRYZMA-UHFFFAOYSA-N
XLogP1.65
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.28
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-chlorophenyl)-1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-3-(propan-2-ylamino)propan-1-one;hydrochloride
CID 141459370
1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(2,4-dichlorophenyl)-3-(propan-2-ylamino)propan-1-one;hydrochloride
CID 141459372
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
CID 90545984
4-chloro-N-(2-pyrrolidin-1-ylpropyl)benzamide
CID 47187389
N-(4-chlorophenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098855
1-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-(4-fluorophenyl)-3-(propan-2-ylamino)propan-1-one
CID 141459402
(4-chlorophenyl)-[4-[6-(trifluoromethyl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 91892346
4-chloro-N-[2-(4-chlorophenyl)-2-hydroxyethyl]benzamide
CID 110885428
N-(2-hydroxypropyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 84574824
4-chloro-N-(2-cyclopropyl-2-hydroxyethyl)benzamide
CID 63294334
N-[(4-chlorophenyl)methyl]-2-(4-formylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168916
1-[4-(6-chloropyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 55002987

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide?
The IUPAC name of 4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide (CID 141459382) is 4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide?
The canonical SMILES for 4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide is O=C(NCC(O)N1CCN(c2cc(Cl)ncn2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide?
The InChIKey is OZEMSJRNFRYZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2N5O2/c18-13-3-1-12(2-4-13)17(26)20-10-16(25)24-7-5-23(6-8-24)15-9-14(19)21-11-22-15/h1-4,9,11,16,25H,5-8,10H2,(H,20,26).
What are the key properties of 4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide?
4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide has a molecular weight of 396.28 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(6-chloropyrimidin-4-yl)piperazin-1-yl]-2-hydroxyethyl]benzamide is sourced from PubChem (CID 141459382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).