3-chloro-4-(2-hydroxyethylamino)benzamide

C9H11ClN2O2 — CID 141166266

IUPAC3-chloro-4-(2-hydroxyethylamino)benzamide
SMILESNC(=O)c1ccc(NCCO)c(Cl)c1
InChIInChI=1S/C9H11ClN2O2/c10-7-5-6(9(11)14)1-2-8(7)12-3-4-13/h1-2,5,12-13H,3-4H2,(H2,11,14)
InChIKeyMFXKDYDQIPRXFR-UHFFFAOYSA-N
MW214.65 g/mol
LogP0.84
Rot. Bonds4

About 3-chloro-4-(2-hydroxyethylamino)benzamide

3-chloro-4-(2-hydroxyethylamino)benzamide (PubChem CID 141166266) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 3-chloro-4-(2-hydroxyethylamino)benzamide.

Molecular Properties

Compound Name3-chloro-4-(2-hydroxyethylamino)benzamide
PubChem CID141166266
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name3-chloro-4-(2-hydroxyethylamino)benzamide
SMILESNC(=O)c1ccc(NCCO)c(Cl)c1
InChIInChI=1S/C9H11ClN2O2/c10-7-5-6(9(11)14)1-2-8(7)12-3-4-13/h1-2,5,12-13H,3-4H2,(H2,11,14)
InChIKeyMFXKDYDQIPRXFR-UHFFFAOYSA-N
XLogP0.84
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethylamino)-3-chlorobenzamide
CID 63092115
2-(4-amino-2-chloroanilino)ethanol;sulfuric acid
CID 70564055
2-[2-(4-carbamoyl-2-chloroanilino)ethyl]-1,3-thiazole-4-carboxylic acid
CID 66375303
4-chloro-3-(pentylamino)benzamide
CID 43679378
2-(4-bromo-2-chloroanilino)ethanol
CID 43168185
4-chloro-3-(hexylamino)benzamide
CID 43679410
3-chloro-4-(propylamino)benzoic acid
CID 63089109
3-chloro-4-[(2-chloro-4-cyanoanilino)methyl]benzamide
CID 107807922
2-[(4-carbamoyl-2-chloroanilino)methyl]-1,3-thiazole-4-carboxylic acid
CID 66380508
3-chloro-4-methylbenzamide;ethane
CID 162191867
4-amino-3-(6-hydroxyhexylamino)benzamide
CID 107843999
4-(butylamino)-3-chlorobenzenecarbothioamide
CID 63088934

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-hydroxyethylamino)benzamide?
The IUPAC name of 3-chloro-4-(2-hydroxyethylamino)benzamide (CID 141166266) is 3-chloro-4-(2-hydroxyethylamino)benzamide.
What is the SMILES notation for 3-chloro-4-(2-hydroxyethylamino)benzamide?
The canonical SMILES for 3-chloro-4-(2-hydroxyethylamino)benzamide is NC(=O)c1ccc(NCCO)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(2-hydroxyethylamino)benzamide?
The InChIKey is MFXKDYDQIPRXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c10-7-5-6(9(11)14)1-2-8(7)12-3-4-13/h1-2,5,12-13H,3-4H2,(H2,11,14).
What are the key properties of 3-chloro-4-(2-hydroxyethylamino)benzamide?
3-chloro-4-(2-hydroxyethylamino)benzamide has a molecular weight of 214.65 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(2-hydroxyethylamino)benzamide is sourced from PubChem (CID 141166266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).