3-(3,5-dichlorophenyl)-4-hydroxy-N,N-bis(2-hydroxyethyl)benzamide

C17H17Cl2NO4 — CID 44534356

IUPAC3-(3,5-dichlorophenyl)-4-hydroxy-N,N-bis(2-hydroxyethyl)benzamide
SMILESO=C(c1ccc(O)c(-c2cc(Cl)cc(Cl)c2)c1)N(CCO)CCO
InChIInChI=1S/C17H17Cl2NO4/c18-13-7-12(8-14(19)10-13)15-9-11(1-2-16(15)23)17(24)20(3-5-21)4-6-22/h1-2,7-10,21-23H,3-6H2
InChIKeyVZRNUQOPUZRHOQ-UHFFFAOYSA-N
MW370.23 g/mol
LogP2.79
Rot. Bonds6

About 3-(3,5-dichlorophenyl)-4-hydroxy-N,N-bis(2-hydroxyethyl)benzamide

3-(3,5-dichlorophenyl)-4-hydroxy-N,N-bis(2-hydroxyethyl)benzamide (PubChem CID 44534356) has the molecular formula C17H17Cl2NO4 and a molecular weight of 370.23 g/mol. Its IUPAC name is 3-(3,5-dichlorophenyl)-4-hydroxy-N,N-bis(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name3-(3,5-dichlorophenyl)-4-hydroxy-N,N-bis(2-hydroxyethyl)benzamide
PubChem CID44534356
Molecular FormulaC17H17Cl2NO4
Molecular Weight370.23 g/mol
Exact Mass369.05
IUPAC Name3-(3,5-dichlorophenyl)-4-hydroxy-N,N-bis(2-hydroxyethyl)benzamide
SMILESO=C(c1ccc(O)c(-c2cc(Cl)cc(Cl)c2)c1)N(CCO)CCO
InChIInChI=1S/C17H17Cl2NO4/c18-13-7-12(8-14(19)10-13)15-9-11(1-2-16(15)23)17(24)20(3-5-21)4-6-22/h1-2,7-10,21-23H,3-6H2
InChIKeyVZRNUQOPUZRHOQ-UHFFFAOYSA-N
XLogP2.79
TPSA81.00 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenyl)-4-hydroxy-N,N-bis(2-hydroxyethyl)benzamide?
The IUPAC name of 3-(3,5-dichlorophenyl)-4-hydroxy-N,N-bis(2-hydroxyethyl)benzamide (CID 44534356) is 3-(3,5-dichlorophenyl)-4-hydroxy-N,N-bis(2-hydroxyethyl)benzamide.
What is the SMILES notation for 3-(3,5-dichlorophenyl)-4-hydroxy-N,N-bis(2-hydroxyethyl)benzamide?
The canonical SMILES for 3-(3,5-dichlorophenyl)-4-hydroxy-N,N-bis(2-hydroxyethyl)benzamide is O=C(c1ccc(O)c(-c2cc(Cl)cc(Cl)c2)c1)N(CCO)CCO.
What is the InChIKey of 3-(3,5-dichlorophenyl)-4-hydroxy-N,N-bis(2-hydroxyethyl)benzamide?
The InChIKey is VZRNUQOPUZRHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO4/c18-13-7-12(8-14(19)10-13)15-9-11(1-2-16(15)23)17(24)20(3-5-21)4-6-22/h1-2,7-10,21-23H,3-6H2.
What are the key properties of 3-(3,5-dichlorophenyl)-4-hydroxy-N,N-bis(2-hydroxyethyl)benzamide?
3-(3,5-dichlorophenyl)-4-hydroxy-N,N-bis(2-hydroxyethyl)benzamide has a molecular weight of 370.23 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenyl)-4-hydroxy-N,N-bis(2-hydroxyethyl)benzamide is sourced from PubChem (CID 44534356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).