3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide

C13H18ClNO2 — CID 81002742

IUPAC3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide
SMILESCc1cc(Cl)cc(C(=O)N(C)CC(C)(C)O)c1
InChIInChI=1S/C13H18ClNO2/c1-9-5-10(7-11(14)6-9)12(16)15(4)8-13(2,3)17/h5-7,17H,8H2,1-4H3
InChIKeyBJYSQFQNQHMOLP-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.49
Rot. Bonds3

About 3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide

3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide (PubChem CID 81002742) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide.

Molecular Properties

Compound Name3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide
PubChem CID81002742
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide
SMILESCc1cc(Cl)cc(C(=O)N(C)CC(C)(C)O)c1
InChIInChI=1S/C13H18ClNO2/c1-9-5-10(7-11(14)6-9)12(16)15(4)8-13(2,3)17/h5-7,17H,8H2,1-4H3
InChIKeyBJYSQFQNQHMOLP-UHFFFAOYSA-N
XLogP2.49
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methylpyridine-4-carboxamide
CID 79390037
3-chloro-N-(2-chloroethyl)-N,5-dimethylbenzamide
CID 81324251
3,5-diamino-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79384757
2-[(3-chloro-5-methylbenzoyl)-methylamino]-2-methylpropanoic acid
CID 81323987
N-(3-amino-2,2-dimethylpropyl)-3,5-dichloro-N-methylbenzamide
CID 79653062
4-amino-3,5-difluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 79385577
N-(3-amino-4-methylpentyl)-3-chloro-N,5-dimethylbenzamide
CID 115317476
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
3,4-dichloro-N-(2-hydroxy-2-methylpropyl)-N-methyl-5-nitrobenzamide
CID 79389561
2-[(3-chloro-5-methylbenzoyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 81322907
3-chloro-N-(2,2-dimethylpropyl)-N-methyl-5-sulfamoylbenzamide
CID 65389265
N-(3-amino-2,2-dimethylpropyl)-3-bromo-5-chloro-N-methylbenzamide
CID 114018521

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide?
The IUPAC name of 3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide (CID 81002742) is 3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide.
What is the SMILES notation for 3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide?
The canonical SMILES for 3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide is Cc1cc(Cl)cc(C(=O)N(C)CC(C)(C)O)c1.
What is the InChIKey of 3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide?
The InChIKey is BJYSQFQNQHMOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-9-5-10(7-11(14)6-9)12(16)15(4)8-13(2,3)17/h5-7,17H,8H2,1-4H3.
What are the key properties of 3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide?
3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide has a molecular weight of 255.75 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2-hydroxy-2-methylpropyl)-N,5-dimethylbenzamide is sourced from PubChem (CID 81002742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).