5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide

C12H16ClNO3 — CID 43573260

IUPAC5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCO)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C12H16ClNO3/c1-8(2)14(5-6-15)12(17)10-7-9(13)3-4-11(10)16/h3-4,7-8,15-16H,5-6H2,1-2H3
InChIKeyHWUJQEWOQYVNDP-UHFFFAOYSA-N
MW257.72 g/mol
LogP1.89
Rot. Bonds4

About 5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide

5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide (PubChem CID 43573260) has the molecular formula C12H16ClNO3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
PubChem CID43573260
Molecular FormulaC12H16ClNO3
Molecular Weight257.72 g/mol
Exact Mass257.08
IUPAC Name5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
SMILESCC(C)N(CCO)C(=O)c1cc(Cl)ccc1O
InChIInChI=1S/C12H16ClNO3/c1-8(2)14(5-6-15)12(17)10-7-9(13)3-4-11(10)16/h3-4,7-8,15-16H,5-6H2,1-2H3
InChIKeyHWUJQEWOQYVNDP-UHFFFAOYSA-N
XLogP1.89
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dihydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107722686
2-hydroxy-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylbenzamide
CID 43573156
N-(2-chloroethyl)-2,5-dihydroxy-N-propan-2-ylbenzamide
CID 107725804
5-bromo-2-hydroxy-N-(3-hydroxypropyl)-N-propan-2-ylbenzamide
CID 107729713
3-[(2-bromo-5-chlorobenzoyl)-propan-2-ylamino]propanoic acid
CID 103925591
N-(2-bromoethyl)-4-chloro-2-hydroxy-N-propan-2-ylbenzamide
CID 80666528
2,5-dichloro-N-(2-hydroxyethyl)-N-propan-2-ylthiophene-3-carboxamide
CID 107963424
N-(3-chloropropyl)-2-hydroxy-5-methyl-N-propan-2-ylbenzamide
CID 63390870
5-chloro-N-ethyl-2-fluoro-N-propan-2-ylbenzamide
CID 61063559
5-chloro-N-[2-(dimethylamino)ethyl]-2-hydroxy-N-methylbenzamide
CID 63700387
3-[(2,4-dichlorobenzoyl)-propan-2-ylamino]propanoic acid
CID 60830882
2-amino-5-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 107074136

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
The IUPAC name of 5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide (CID 43573260) is 5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
The canonical SMILES for 5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide is CC(C)N(CCO)C(=O)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
The InChIKey is HWUJQEWOQYVNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO3/c1-8(2)14(5-6-15)12(17)10-7-9(13)3-4-11(10)16/h3-4,7-8,15-16H,5-6H2,1-2H3.
What are the key properties of 5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide?
5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide has a molecular weight of 257.72 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxy-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 43573260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).