N-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide

C20H23ClN2O3 — CID 55337026

IUPACN-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-23(2)19-10-7-15(21)12-18(19)22-20(24)14-5-8-16(9-6-14)26-13-17-4-3-11-25-17/h5-10,12,17H,3-4,11,13H2,1-2H3,(H,22,24)
InChIKeyQAYBDGOCRULPJU-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.22
Rot. Bonds6

About N-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide

N-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 55337026) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID55337026
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCN(C)c1ccc(Cl)cc1NC(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-23(2)19-10-7-15(21)12-18(19)22-20(24)14-5-8-16(9-6-14)26-13-17-4-3-11-25-17/h5-10,12,17H,3-4,11,13H2,1-2H3,(H,22,24)
InChIKeyQAYBDGOCRULPJU-UHFFFAOYSA-N
XLogP4.22
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55700831
4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17222277
4-chloro-N-[[4-(oxolan-2-ylmethoxy)phenyl]carbamothioyl]benzamide
CID 4958006
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4877901
N-[5-chloro-2-(dimethylamino)phenyl]-2-(oxolan-2-ylmethylamino)acetamide
CID 119858088
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 7750856
3-chloro-N'-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]benzohydrazide
CID 2108807
N-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 42908077
N-(2,6-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 54785933
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
N-[2-(4-chloroanilino)-2-oxoethyl]-N-methyl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 9417466

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide (CID 55337026) is N-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide is CN(C)c1ccc(Cl)cc1NC(=O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is QAYBDGOCRULPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-23(2)19-10-7-15(21)12-18(19)22-20(24)14-5-8-16(9-6-14)26-13-17-4-3-11-25-17/h5-10,12,17H,3-4,11,13H2,1-2H3,(H,22,24).
What are the key properties of N-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
N-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 374.87 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 55337026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).