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

C10H12ClNO2 — CID 68604884

IUPAC4-chloro-5-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1cc(Cl)c(CCO)cc1C(N)=O
InChIInChI=1S/C10H12ClNO2/c1-6-4-9(11)7(2-3-13)5-8(6)10(12)14/h4-5,13H,2-3H2,1H3,(H2,12,14)
InChIKeyHCVUCJBQJLSWBT-UHFFFAOYSA-N
MW213.66 g/mol
LogP1.28
Rot. Bonds3

About 4-chloro-5-(2-hydroxyethyl)-2-methylbenzamide

4-chloro-5-(2-hydroxyethyl)-2-methylbenzamide (PubChem CID 68604884) has the molecular formula C10H12ClNO2 and a molecular weight of 213.66 g/mol. Its IUPAC name is 4-chloro-5-(2-hydroxyethyl)-2-methylbenzamide.

Molecular Properties

Compound Name4-chloro-5-(2-hydroxyethyl)-2-methylbenzamide
PubChem CID68604884
Molecular FormulaC10H12ClNO2
Molecular Weight213.66 g/mol
Exact Mass213.06
IUPAC Name4-chloro-5-(2-hydroxyethyl)-2-methylbenzamide
SMILESCc1cc(Cl)c(CCO)cc1C(N)=O
InChIInChI=1S/C10H12ClNO2/c1-6-4-9(11)7(2-3-13)5-8(6)10(12)14/h4-5,13H,2-3H2,1H3,(H2,12,14)
InChIKeyHCVUCJBQJLSWBT-UHFFFAOYSA-N
XLogP1.28
TPSA63.32 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 ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2,4-dimethylbenzamide
CID 82551019
4-chloro-5-iodo-2-methylbenzamide
CID 171003552
5-chloro-4-iodo-2-methylbenzamide
CID 171003750
methyl 5-(2-hydroxyethyl)-2,4-dimethylbenzoate
CID 117297589
4-carbamoyl-2,5-dimethylbenzoic acid
CID 165441285
(2-chloro-5-methoxycarbonyl-4-methylphenyl)methanesulfinic acid
CID 174329673
2-hydroxy-5-(2-hydroxyethyl)-6-oxo-1H-pyridine-3-carboxamide
CID 137180931
ethyl 2-[5-chloro-2-ethoxy-4-(2-hydroxyethyl)phenoxy]acetate
CID 18620089
5-chloro-3-methylnaphthalene-2-carboxamide
CID 20773242
methyl 4-fluoro-5-(2-hydroxyethyl)-2-methylbenzoate
CID 117302808
2,5-bis(2-hydroxyethyl)terephthalic acid
CID 175518382
4-fluoro-2,5-dimethylbenzamide
CID 119025196

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-hydroxyethyl)-2-methylbenzamide?
The IUPAC name of 4-chloro-5-(2-hydroxyethyl)-2-methylbenzamide (CID 68604884) is 4-chloro-5-(2-hydroxyethyl)-2-methylbenzamide.
What is the SMILES notation for 4-chloro-5-(2-hydroxyethyl)-2-methylbenzamide?
The canonical SMILES for 4-chloro-5-(2-hydroxyethyl)-2-methylbenzamide is Cc1cc(Cl)c(CCO)cc1C(N)=O.
What is the InChIKey of 4-chloro-5-(2-hydroxyethyl)-2-methylbenzamide?
The InChIKey is HCVUCJBQJLSWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2/c1-6-4-9(11)7(2-3-13)5-8(6)10(12)14/h4-5,13H,2-3H2,1H3,(H2,12,14).
What are the key properties of 4-chloro-5-(2-hydroxyethyl)-2-methylbenzamide?
4-chloro-5-(2-hydroxyethyl)-2-methylbenzamide has a molecular weight of 213.66 g/mol, XLogP of 1.28, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-hydroxyethyl)-2-methylbenzamide is sourced from PubChem (CID 68604884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).