N-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide

C18H18Cl2N2O3 — CID 51193239

IUPACN-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESNc1c(Cl)cc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1Cl
InChIInChI=1S/C18H18Cl2N2O3/c19-15-8-12(9-16(20)17(15)21)22-18(23)11-3-5-13(6-4-11)25-10-14-2-1-7-24-14/h3-6,8-9,14H,1-2,7,10,21H2,(H,22,23)
InChIKeyQNDNFKYXPMARGB-UHFFFAOYSA-N
MW381.26 g/mol
LogP4.39
Rot. Bonds5

About N-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide

N-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide (PubChem CID 51193239) has the molecular formula C18H18Cl2N2O3 and a molecular weight of 381.26 g/mol. Its IUPAC name is N-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
PubChem CID51193239
Molecular FormulaC18H18Cl2N2O3
Molecular Weight381.26 g/mol
Exact Mass380.07
IUPAC NameN-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
SMILESNc1c(Cl)cc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1Cl
InChIInChI=1S/C18H18Cl2N2O3/c19-15-8-12(9-16(20)17(15)21)22-18(23)11-3-5-13(6-4-11)25-10-14-2-1-7-24-14/h3-6,8-9,14H,1-2,7,10,21H2,(H,22,23)
InChIKeyQNDNFKYXPMARGB-UHFFFAOYSA-N
XLogP4.39
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.26
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(oxolan-2-ylmethoxy)-N-(2,4,5-trichlorophenyl)benzamide
CID 17222277
4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 4786441
N-(2,6-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 54785933
N-(4-acetamidophenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 40642293
N-(3,4-dimethylphenyl)-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 42580258
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
N-(2-chloro-4,6-dimethylphenyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 42908077
methyl 4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 17222269
4-(2-methoxyethoxy)-N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 40796712
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 41152372
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 26057843
N-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]-4-phenylbenzamide
CID 9294955

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The IUPAC name of N-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide (CID 51193239) is N-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide.
What is the SMILES notation for N-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The canonical SMILES for N-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide is Nc1c(Cl)cc(NC(=O)c2ccc(OCC3CCCO3)cc2)cc1Cl.
What is the InChIKey of N-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide?
The InChIKey is QNDNFKYXPMARGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N2O3/c19-15-8-12(9-16(20)17(15)21)22-18(23)11-3-5-13(6-4-11)25-10-14-2-1-7-24-14/h3-6,8-9,14H,1-2,7,10,21H2,(H,22,23).
What are the key properties of N-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide?
N-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide has a molecular weight of 381.26 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-3,5-dichlorophenyl)-4-(oxolan-2-ylmethoxy)benzamide is sourced from PubChem (CID 51193239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).