4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide

C12H15ClN2O4 — CID 154085397

IUPAC4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)NCCO
InChIInChI=1S/C12H15ClN2O4/c1-7(17)15-10-6-11(19-2)8(5-9(10)13)12(18)14-3-4-16/h5-6,16H,3-4H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyOLAZDFVYXPEWKE-UHFFFAOYSA-N
MW286.72 g/mol
LogP1.03
Rot. Bonds5

About 4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide

4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide (PubChem CID 154085397) has the molecular formula C12H15ClN2O4 and a molecular weight of 286.72 g/mol. Its IUPAC name is 4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide.

Molecular Properties

Compound Name4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide
PubChem CID154085397
Molecular FormulaC12H15ClN2O4
Molecular Weight286.72 g/mol
Exact Mass286.07
IUPAC Name4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide
SMILESCOc1cc(NC(C)=O)c(Cl)cc1C(=O)NCCO
InChIInChI=1S/C12H15ClN2O4/c1-7(17)15-10-6-11(19-2)8(5-9(10)13)12(18)14-3-4-16/h5-6,16H,3-4H2,1-2H3,(H,14,18)(H,15,17)
InChIKeyOLAZDFVYXPEWKE-UHFFFAOYSA-N
XLogP1.03
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetamido-5-chloro-N-(3-ethoxypropyl)-2-methoxybenzamide
CID 4006974
5-chloro-N-(2-hydroxyethyl)-4-iodo-2-methoxybenzamide
CID 43419592
4-acetamido-5-chloro-2-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 17257105
4-acetamido-5-chloro-2-methoxy-N-[2-(4-sulfamoylphenyl)ethyl]benzamide
CID 17257152
4-acetamido-5-chloro-N-(3-imidazol-1-ylpropyl)-2-methoxybenzamide
CID 3965809
N-(2-chloro-4,5-dimethoxyphenyl)acetamide
CID 60709552
4-acetamido-5-chloro-2-methoxy-N-[(2R)-pentan-2-yl]benzamide
CID 7379277
4-acetamido-5-chloro-2-methoxy-N-(3-oxoprop-1-en-2-yl)benzamide
CID 10613903
4-acetamido-5-chloro-2-methoxy-N,N-dipropylbenzamide
CID 17257104
4-acetamido-5-chloro-N-(2,3-dichlorophenyl)-2-methoxybenzamide
CID 17257142
4-acetamido-5-chloro-N-(2-ethylphenyl)-2-methoxybenzamide
CID 17257106
5-chloro-N-(3-hydroxypropyl)-2-methoxy-4-methylbenzamide
CID 96665044

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide?
The IUPAC name of 4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide (CID 154085397) is 4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide.
What is the SMILES notation for 4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide?
The canonical SMILES for 4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide is COc1cc(NC(C)=O)c(Cl)cc1C(=O)NCCO.
What is the InChIKey of 4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide?
The InChIKey is OLAZDFVYXPEWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O4/c1-7(17)15-10-6-11(19-2)8(5-9(10)13)12(18)14-3-4-16/h5-6,16H,3-4H2,1-2H3,(H,14,18)(H,15,17).
What are the key properties of 4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide?
4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide has a molecular weight of 286.72 g/mol, XLogP of 1.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-chloro-N-(2-hydroxyethyl)-2-methoxybenzamide is sourced from PubChem (CID 154085397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).