2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide

C12H14ClNO2 — CID 106502176

IUPAC2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(C)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H14ClNO2/c1-8(2)7-14(3)12(16)10-6-9(15)4-5-11(10)13/h4-6,15H,1,7H2,2-3H3
InChIKeyPIGJBDPVQKTARN-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.69
Rot. Bonds3

About 2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide

2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide (PubChem CID 106502176) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide
PubChem CID106502176
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide
SMILESC=C(C)CN(C)C(=O)c1cc(O)ccc1Cl
InChIInChI=1S/C12H14ClNO2/c1-8(2)7-14(3)12(16)10-6-9(15)4-5-11(10)13/h4-6,15H,1,7H2,2-3H3
InChIKeyPIGJBDPVQKTARN-UHFFFAOYSA-N
XLogP2.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-hydroxy-N-methylbenzamide
CID 106501594
2-chloro-N-(cyanomethyl)-5-hydroxy-N-methylbenzamide
CID 106500987
N-(3-aminopropyl)-2-chloro-5-hydroxy-N-methylbenzamide
CID 106499987
2-chloro-5-hydroxy-N-methyl-N-[2-(methylamino)ethyl]benzamide
CID 106500873
2-chloro-N-[(2-chlorophenyl)methyl]-5-hydroxy-N-methylbenzamide
CID 106501484
2-hydroxy-N,5-dimethyl-N-(2-methylprop-2-enyl)benzamide
CID 115968436
N,N-dibutyl-2-chloro-5-hydroxybenzamide
CID 106501357
3-bromo-2-chloro-N-methyl-N-(2-methylprop-2-enyl)benzamide
CID 103993167
2-chloro-5-hydroxy-N-methyl-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 106501816
2-chloro-5-hydroxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzamide
CID 106502213
2-chloro-5-hydroxy-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylbenzamide
CID 106502232
2-chloro-5-hydroxy-N',N'-dimethylbenzohydrazide
CID 106502069

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide?
The IUPAC name of 2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide (CID 106502176) is 2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide.
What is the SMILES notation for 2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide?
The canonical SMILES for 2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide is C=C(C)CN(C)C(=O)c1cc(O)ccc1Cl.
What is the InChIKey of 2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide?
The InChIKey is PIGJBDPVQKTARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-8(2)7-14(3)12(16)10-6-9(15)4-5-11(10)13/h4-6,15H,1,7H2,2-3H3.
What are the key properties of 2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide?
2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide has a molecular weight of 239.70 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-hydroxy-N-methyl-N-(2-methylprop-2-enyl)benzamide is sourced from PubChem (CID 106502176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).