N-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide

C20H22ClNO3 — CID 42908077

IUPACN-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(OCC3CCCO3)cc2)c(Cl)c1
InChIInChI=1S/C20H22ClNO3/c1-13-10-14(2)19(18(21)11-13)22-20(23)15-5-7-16(8-6-15)25-12-17-4-3-9-24-17/h5-8,10-11,17H,3-4,9,12H2,1-2H3,(H,22,23)
InChIKeyHCTQHVSYODLUPV-UHFFFAOYSA-N
MW359.85 g/mol
LogP4.77
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide

N-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 42908077) has the molecular formula C20H22ClNO3 and a molecular weight of 359.85 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID42908077
Molecular FormulaC20H22ClNO3
Molecular Weight359.85 g/mol
Exact Mass359.13
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESCc1cc(C)c(NC(=O)c2ccc(OCC3CCCO3)cc2)c(Cl)c1
InChIInChI=1S/C20H22ClNO3/c1-13-10-14(2)19(18(21)11-13)22-20(23)15-5-7-16(8-6-15)25-12-17-4-3-9-24-17/h5-8,10-11,17H,3-4,9,12H2,1-2H3,(H,22,23)
InChIKeyHCTQHVSYODLUPV-UHFFFAOYSA-N
XLogP4.77
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.85
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 54785933
4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17222277
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 51193239
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
N-(5-fluoro-2-methylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 4877901
N-[3-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55700831
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
N-[5-chloro-2-(dimethylamino)phenyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55337026
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 41152372

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide (CID 42908077) is N-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide is Cc1cc(C)c(NC(=O)c2ccc(OCC3CCCO3)cc2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is HCTQHVSYODLUPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClNO3/c1-13-10-14(2)19(18(21)11-13)22-20(23)15-5-7-16(8-6-15)25-12-17-4-3-9-24-17/h5-8,10-11,17H,3-4,9,12H2,1-2H3,(H,22,23).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide?
N-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 359.85 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 42908077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).