N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide

C20H23ClN2O3 — CID 55700831

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-23(2)19-17(21)6-3-7-18(19)22-20(24)14-8-10-15(11-9-14)26-13-16-5-4-12-25-16/h3,6-11,16H,4-5,12-13H2,1-2H3,(H,22,24)
InChIKeyOCWKAKIVTGIVTI-UHFFFAOYSA-N
MW374.87 g/mol
LogP4.22
Rot. Bonds6

About N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide

N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 55700831) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID55700831
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
SMILESCN(C)c1c(Cl)cccc1NC(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C20H23ClN2O3/c1-23(2)19-17(21)6-3-7-18(19)22-20(24)14-8-10-15(11-9-14)26-13-16-5-4-12-25-16/h3,6-11,16H,4-5,12-13H2,1-2H3,(H,22,24)
InChIKeyOCWKAKIVTGIVTI-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-(2,6-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 54785933
N-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55337026
4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17222277
N-(2-ethylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 7750856
N-naphthalen-1-yl-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580238
N-(2-ethoxyphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 2590932
N-(2-cyanophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 42580253
2-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 17222238
2-chloro-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 17222475
N-[6-(dimethylamino)-3-pyridinyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 42932973
N-(3-chloro-2-methylphenyl)-2-[4-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54821519
N-[2-(2-methylpropoxy)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 17222367

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide (CID 55700831) is N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide is CN(C)c1c(Cl)cccc1NC(=O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is OCWKAKIVTGIVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2O3/c1-23(2)19-17(21)6-3-7-18(19)22-20(24)14-8-10-15(11-9-14)26-13-16-5-4-12-25-16/h3,6-11,16H,4-5,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide?
N-[3-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-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 55700831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).