2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide

C13H17ClN2O2 — CID 63335405

IUPAC2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide
SMILESCN(C)C(=O)c1cc(NC2CCOC2)ccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-16(2)13(17)11-7-9(3-4-12(11)14)15-10-5-6-18-8-10/h3-4,7,10,15H,5-6,8H2,1-2H3
InChIKeyLUITYAPZLXVDHE-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.24
Rot. Bonds3

About 2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide

2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide (PubChem CID 63335405) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide
PubChem CID63335405
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide
SMILESCN(C)C(=O)c1cc(NC2CCOC2)ccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-16(2)13(17)11-7-9(3-4-12(11)14)15-10-5-6-18-8-10/h3-4,7,10,15H,5-6,8H2,1-2H3
InChIKeyLUITYAPZLXVDHE-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-(oxolan-3-ylamino)benzoic acid
CID 80715849
5-[(3-aminocyclopentyl)amino]-2-chloro-N,N-dimethylbenzamide
CID 79461229
2-chloro-1-N,1-N-dimethyl-4-N-(oxolan-3-yl)benzene-1,4-diamine
CID 63335531
N-[2-chloro-4-(oxolan-3-ylamino)phenyl]acetamide
CID 63331642
2-chloro-5-[(2,6-dimethylcyclohexyl)amino]-N,N-dimethylbenzamide
CID 43709780
1-[2-amino-5-(oxolan-3-ylamino)phenyl]ethanone
CID 104613018
2-chloro-N,N-dimethyl-5-[(2-methylcyclopentyl)amino]benzamide
CID 65044373
2-methyl-4-(oxolan-3-ylamino)benzoic acid
CID 81281891
2-amino-5-(oxolan-3-ylamino)benzamide
CID 80713796
2-chloro-N,N-dimethyl-5-[(2-methylthian-3-yl)amino]benzamide
CID 79957292
2-chloro-N,N-dimethyl-5-[[(3S)-1-piperidin-4-ylpiperidin-3-yl]amino]benzamide
CID 166030988
4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66240431

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide?
The IUPAC name of 2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide (CID 63335405) is 2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide.
What is the SMILES notation for 2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide?
The canonical SMILES for 2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide is CN(C)C(=O)c1cc(NC2CCOC2)ccc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide?
The InChIKey is LUITYAPZLXVDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-16(2)13(17)11-7-9(3-4-12(11)14)15-10-5-6-18-8-10/h3-4,7,10,15H,5-6,8H2,1-2H3.
What are the key properties of 2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide?
2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide has a molecular weight of 268.74 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-5-(oxolan-3-ylamino)benzamide is sourced from PubChem (CID 63335405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).