N-[2-(4-chlorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

C20H20ClN3O2 — CID 66790999

IUPACN-[2-(4-chlorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C20H20ClN3O2/c1-14-12-24(13-23-14)18-8-5-16(11-19(18)26-2)20(25)22-10-9-15-3-6-17(21)7-4-15/h3-8,11-13H,9-10H2,1-2H3,(H,22,25)
InChIKeyRILZERRVTGGOEB-UHFFFAOYSA-N
MW369.85 g/mol
LogP3.82
Rot. Bonds6

About N-[2-(4-chlorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide

N-[2-(4-chlorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (PubChem CID 66790999) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
PubChem CID66790999
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide
SMILESCOc1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1-n1cnc(C)c1
InChIInChI=1S/C20H20ClN3O2/c1-14-12-24(13-23-14)18-8-5-16(11-19(18)26-2)20(25)22-10-9-15-3-6-17(21)7-4-15/h3-8,11-13H,9-10H2,1-2H3,(H,22,25)
InChIKeyRILZERRVTGGOEB-UHFFFAOYSA-N
XLogP3.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide (CID 66790999) is N-[2-(4-chlorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is COc1cc(C(=O)NCCc2ccc(Cl)cc2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
The InChIKey is RILZERRVTGGOEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-14-12-24(13-23-14)18-8-5-16(11-19(18)26-2)20(25)22-10-9-15-3-6-17(21)7-4-15/h3-8,11-13H,9-10H2,1-2H3,(H,22,25).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide?
N-[2-(4-chlorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide has a molecular weight of 369.85 g/mol, XLogP of 3.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-3-methoxy-4-(4-methylimidazol-1-yl)benzamide is sourced from PubChem (CID 66790999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).