3-chloro-4-hydroxy-N-methyl-N-propylbenzamide

C11H14ClNO2 — CID 43271538

IUPAC3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
SMILESCCCN(C)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-3-6-13(2)11(15)8-4-5-10(14)9(12)7-8/h4-5,7,14H,3,6H2,1-2H3
InChIKeyYWOZSZISFURDKS-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.53
Rot. Bonds3

About 3-chloro-4-hydroxy-N-methyl-N-propylbenzamide

3-chloro-4-hydroxy-N-methyl-N-propylbenzamide (PubChem CID 43271538) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-methyl-N-propylbenzamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
PubChem CID43271538
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name3-chloro-4-hydroxy-N-methyl-N-propylbenzamide
SMILESCCCN(C)C(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C11H14ClNO2/c1-3-6-13(2)11(15)8-4-5-10(14)9(12)7-8/h4-5,7,14H,3,6H2,1-2H3
InChIKeyYWOZSZISFURDKS-UHFFFAOYSA-N
XLogP2.53
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-hydroxy-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 112698184
3-chloro-4-iodo-N-methyl-N-propylbenzamide
CID 103736028
3-chloro-N-cyclopropyl-4-hydroxy-N-propylbenzamide
CID 43270676
3-chloro-N-(cyclopropylmethyl)-4-hydroxy-N-propylbenzamide
CID 60654225
N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide
CID 104555993
3-chloro-4-hydroxy-N-pentyl-N-propan-2-ylbenzamide
CID 55001893
3-chloro-N-ethyl-4-hydroxy-N-propan-2-ylbenzamide
CID 43266072
3-hydroxy-N-methyl-4-nitro-N-propylbenzamide
CID 113228241
3-chloro-N-[2-[ethyl(methyl)amino]ethyl]-4-hydroxybenzamide
CID 62634789
6-chloro-N-methyl-N-propylpyridine-3-carboxamide
CID 43271303
3-chloro-4-iodo-N-methyl-N-(2-methylsulfanylethyl)benzamide
CID 103747389
3-chloro-N-(2-ethoxyethyl)-N-ethyl-4-hydroxybenzamide
CID 63692359

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-methyl-N-propylbenzamide?
The IUPAC name of 3-chloro-4-hydroxy-N-methyl-N-propylbenzamide (CID 43271538) is 3-chloro-4-hydroxy-N-methyl-N-propylbenzamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-methyl-N-propylbenzamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-methyl-N-propylbenzamide is CCCN(C)C(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-methyl-N-propylbenzamide?
The InChIKey is YWOZSZISFURDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-3-6-13(2)11(15)8-4-5-10(14)9(12)7-8/h4-5,7,14H,3,6H2,1-2H3.
What are the key properties of 3-chloro-4-hydroxy-N-methyl-N-propylbenzamide?
3-chloro-4-hydroxy-N-methyl-N-propylbenzamide has a molecular weight of 227.69 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-methyl-N-propylbenzamide is sourced from PubChem (CID 43271538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).