2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide

C14H21ClN2O2 — CID 103848640

IUPAC2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)(O)CN(C)C)c1Cl
InChIInChI=1S/C14H21ClN2O2/c1-10-6-5-7-11(12(10)15)13(18)16-8-14(2,19)9-17(3)4/h5-7,19H,8-9H2,1-4H3,(H,16,18)
InChIKeyXJYMXGKTPIOXMU-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.69
Rot. Bonds5

About 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide

2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide (PubChem CID 103848640) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide
PubChem CID103848640
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide
SMILESCc1cccc(C(=O)NCC(C)(O)CN(C)C)c1Cl
InChIInChI=1S/C14H21ClN2O2/c1-10-6-5-7-11(12(10)15)13(18)16-8-14(2,19)9-17(3)4/h5-7,19H,8-9H2,1-4H3,(H,16,18)
InChIKeyXJYMXGKTPIOXMU-UHFFFAOYSA-N
XLogP1.69
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 106139493
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103840160
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethylbenzamide
CID 103839801
2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103839782
2-amino-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 106148349
2-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-fluorobenzamide
CID 106143245
2-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methylbenzamide
CID 109399368
4-bromo-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-methylbenzamide
CID 103839610
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-ethoxybenzamide
CID 103840168
2,3-dichloro-N-[(2S)-2-hydroxy-2-methylbutyl]benzamide
CID 95776247
N-[2-(bromomethyl)-2-ethylbutyl]-2-chloro-3-methylbenzamide
CID 114164820
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2,6-dimethoxybenzamide
CID 103841084

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide?
The IUPAC name of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide (CID 103848640) is 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide.
What is the SMILES notation for 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide?
The canonical SMILES for 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide is Cc1cccc(C(=O)NCC(C)(O)CN(C)C)c1Cl.
What is the InChIKey of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide?
The InChIKey is XJYMXGKTPIOXMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c1-10-6-5-7-11(12(10)15)13(18)16-8-14(2,19)9-17(3)4/h5-7,19H,8-9H2,1-4H3,(H,16,18).
What are the key properties of 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide?
2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide has a molecular weight of 284.79 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-methylbenzamide is sourced from PubChem (CID 103848640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).