N-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide

C22H24ClN3O4 — CID 60607880

IUPACN-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)cc(OCC)c1OCC
InChIInChI=1S/C22H24ClN3O4/c1-4-28-19-11-15(12-20(29-5-2)21(19)30-6-3)22(27)25-16-7-8-18(17(23)13-16)26-10-9-24-14-26/h7-14H,4-6H2,1-3H3,(H,25,27)
InChIKeyRAFAHSURWLWXRK-UHFFFAOYSA-N
MW429.90 g/mol
LogP4.97
Rot. Bonds9

About N-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide

N-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide (PubChem CID 60607880) has the molecular formula C22H24ClN3O4 and a molecular weight of 429.90 g/mol. Its IUPAC name is N-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide.

Molecular Properties

Compound NameN-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide
PubChem CID60607880
Molecular FormulaC22H24ClN3O4
Molecular Weight429.90 g/mol
Exact Mass429.15
IUPAC NameN-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide
SMILESCCOc1cc(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)cc(OCC)c1OCC
InChIInChI=1S/C22H24ClN3O4/c1-4-28-19-11-15(12-20(29-5-2)21(19)30-6-3)22(27)25-16-7-8-18(17(23)13-16)26-10-9-24-14-26/h7-14H,4-6H2,1-3H3,(H,25,27)
InChIKeyRAFAHSURWLWXRK-UHFFFAOYSA-N
XLogP4.97
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.90
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433
N-(3-fluoro-4-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 47059878
3,4,5-triethoxy-N-[3-methyl-4-(tetrazol-1-yl)phenyl]benzamide
CID 46569736
3,4,5-triethoxy-N-[3-[(3,4,5-triethoxybenzoyl)amino]phenyl]benzamide
CID 5007008
N-[(3,4-dichlorophenyl)carbamothioyl]-3,4,5-triethoxybenzamide
CID 3561534
N-(3-chloro-4-propan-2-yloxyphenyl)-4-imidazol-1-yl-3-nitrobenzamide
CID 39410127
3,4,5-triethoxy-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]benzamide
CID 90564983
1-(3-chloro-4-imidazol-1-ylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 56786021
3,4,5-triethoxy-N-(3-pyrazol-1-ylphenyl)benzamide
CID 55700576
N-[[3-chloro-4-(4-propanoylpiperazin-1-yl)phenyl]carbamothioyl]-3,4,5-triethoxybenzamide
CID 17317558
N-(1,4-dimethyl-2,3-dioxoquinoxalin-6-yl)-3,4,5-triethoxybenzamide
CID 15990247
N-(2-imidazol-1-ylphenyl)-3,4,5-trimethoxybenzamide
CID 12911567

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide?
The IUPAC name of N-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide (CID 60607880) is N-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide.
What is the SMILES notation for N-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide?
The canonical SMILES for N-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide is CCOc1cc(C(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)cc(OCC)c1OCC.
What is the InChIKey of N-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide?
The InChIKey is RAFAHSURWLWXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O4/c1-4-28-19-11-15(12-20(29-5-2)21(19)30-6-3)22(27)25-16-7-8-18(17(23)13-16)26-10-9-24-14-26/h7-14H,4-6H2,1-3H3,(H,25,27).
What are the key properties of N-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide?
N-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide has a molecular weight of 429.90 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-imidazol-1-ylphenyl)-3,4,5-triethoxybenzamide is sourced from PubChem (CID 60607880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).