4-chloro-N,N-dimethyl-2-[2-[(2R)-oxolan-2-yl]ethylamino]benzamide

C15H21ClN2O2 — CID 124621488

IUPAC4-chloro-N,N-dimethyl-2-[2-[(2R)-oxolan-2-yl]ethylamino]benzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NCC[C@H]1CCCO1
InChIInChI=1S/C15H21ClN2O2/c1-18(2)15(19)13-6-5-11(16)10-14(13)17-8-7-12-4-3-9-20-12/h5-6,10,12,17H,3-4,7-9H2,1-2H3/t12-/m1/s1
InChIKeySEFGIYJZMMHYNF-GFCCVEGCSA-N
MW296.80 g/mol
LogP3.02
Rot. Bonds5

About 4-chloro-N,N-dimethyl-2-[2-[(2R)-oxolan-2-yl]ethylamino]benzamide

4-chloro-N,N-dimethyl-2-[2-[(2R)-oxolan-2-yl]ethylamino]benzamide (PubChem CID 124621488) has the molecular formula C15H21ClN2O2 and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-chloro-N,N-dimethyl-2-[2-[(2R)-oxolan-2-yl]ethylamino]benzamide.

Molecular Properties

Compound Name4-chloro-N,N-dimethyl-2-[2-[(2R)-oxolan-2-yl]ethylamino]benzamide
PubChem CID124621488
Molecular FormulaC15H21ClN2O2
Molecular Weight296.80 g/mol
Exact Mass296.13
IUPAC Name4-chloro-N,N-dimethyl-2-[2-[(2R)-oxolan-2-yl]ethylamino]benzamide
SMILESCN(C)C(=O)c1ccc(Cl)cc1NCC[C@H]1CCCO1
InChIInChI=1S/C15H21ClN2O2/c1-18(2)15(19)13-6-5-11(16)10-14(13)17-8-7-12-4-3-9-20-12/h5-6,10,12,17H,3-4,7-9H2,1-2H3/t12-/m1/s1
InChIKeySEFGIYJZMMHYNF-GFCCVEGCSA-N
XLogP3.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N,N-dimethyl-2-[2-[(2R)-oxolan-2-yl]ethylamino]benzamide?
The IUPAC name of 4-chloro-N,N-dimethyl-2-[2-[(2R)-oxolan-2-yl]ethylamino]benzamide (CID 124621488) is 4-chloro-N,N-dimethyl-2-[2-[(2R)-oxolan-2-yl]ethylamino]benzamide.
What is the SMILES notation for 4-chloro-N,N-dimethyl-2-[2-[(2R)-oxolan-2-yl]ethylamino]benzamide?
The canonical SMILES for 4-chloro-N,N-dimethyl-2-[2-[(2R)-oxolan-2-yl]ethylamino]benzamide is CN(C)C(=O)c1ccc(Cl)cc1NCC[C@H]1CCCO1.
What is the InChIKey of 4-chloro-N,N-dimethyl-2-[2-[(2R)-oxolan-2-yl]ethylamino]benzamide?
The InChIKey is SEFGIYJZMMHYNF-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H21ClN2O2/c1-18(2)15(19)13-6-5-11(16)10-14(13)17-8-7-12-4-3-9-20-12/h5-6,10,12,17H,3-4,7-9H2,1-2H3/t12-/m1/s1.
What are the key properties of 4-chloro-N,N-dimethyl-2-[2-[(2R)-oxolan-2-yl]ethylamino]benzamide?
4-chloro-N,N-dimethyl-2-[2-[(2R)-oxolan-2-yl]ethylamino]benzamide has a molecular weight of 296.80 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N,N-dimethyl-2-[2-[(2R)-oxolan-2-yl]ethylamino]benzamide is sourced from PubChem (CID 124621488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).