5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide

C10H12ClNO2 — CID 115532800

IUPAC5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NCCO
InChIInChI=1S/C10H12ClNO2/c1-7-2-3-8(11)6-9(7)10(14)12-4-5-13/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKeyNQRDKKXQKIAEGC-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.37
Rot. Bonds3

About 5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide

5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 115532800) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
PubChem CID115532800
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1ccc(Cl)cc1C(=O)NCCO
InChIInChI=1S/C10H12ClNO2/c1-7-2-3-8(11)6-9(7)10(14)12-4-5-13/h2-3,6,13H,4-5H2,1H3,(H,12,14)
InChIKeyNQRDKKXQKIAEGC-UHFFFAOYSA-N
XLogP1.37
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.66
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-aminopropyl)-5-chloro-2-methylbenzamide
CID 82883577
N-(4-aminobutyl)-5-chloro-2-methylbenzamide
CID 82883578
5-chloro-2-methyl-N-[3-(methylamino)propyl]benzamide
CID 82883709
5-chloro-N-hydroxy-2-methylbenzamide
CID 82883226
N-(6-bromohexyl)-5-chloro-2-methylbenzamide
CID 107847963
5-chloro-N-(5-hydroxy-4-methylpentyl)-2-methylbenzamide
CID 103861766
4-[(5-chloro-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 82883346
2-chloro-5-fluoro-N-(2-hydroxyethyl)-4-methylbenzamide
CID 117044379
5-chloro-N-(3-chloro-2,2-dimethylpropyl)-2-methylbenzamide
CID 82890585
5-chloro-N-(4-hydroxybutan-2-yl)-2-methylbenzamide
CID 115532903
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
2-fluoro-N-(2-hydroxyethyl)-5-methylbenzamide
CID 62511184

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of 5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide (CID 115532800) is 5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for 5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide is Cc1ccc(Cl)cc1C(=O)NCCO.
What is the InChIKey of 5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is NQRDKKXQKIAEGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-7-2-3-8(11)6-9(7)10(14)12-4-5-13/h2-3,6,13H,4-5H2,1H3,(H,12,14).
What are the key properties of 5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide?
5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 213.66 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 115532800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).