5-acetamido-2-chloro-N-(2-imidazol-1-yl-1-phenylethyl)benzamide

C20H19ClN4O2 — CID 50963721

IUPAC5-acetamido-2-chloro-N-(2-imidazol-1-yl-1-phenylethyl)benzamide
SMILESCC(=O)Nc1ccc(Cl)c(C(=O)NC(Cn2ccnc2)c2ccccc2)c1
InChIInChI=1S/C20H19ClN4O2/c1-14(26)23-16-7-8-18(21)17(11-16)20(27)24-19(12-25-10-9-22-13-25)15-5-3-2-4-6-15/h2-11,13,19H,12H2,1H3,(H,23,26)(H,24,27)
InChIKeyAATNXLRILQHNNJ-UHFFFAOYSA-N
MW382.85 g/mol
LogP3.67
Rot. Bonds6

About 5-acetamido-2-chloro-N-(2-imidazol-1-yl-1-phenylethyl)benzamide

5-acetamido-2-chloro-N-(2-imidazol-1-yl-1-phenylethyl)benzamide (PubChem CID 50963721) has the molecular formula C20H19ClN4O2 and a molecular weight of 382.85 g/mol. Its IUPAC name is 5-acetamido-2-chloro-N-(2-imidazol-1-yl-1-phenylethyl)benzamide.

Molecular Properties

Compound Name5-acetamido-2-chloro-N-(2-imidazol-1-yl-1-phenylethyl)benzamide
PubChem CID50963721
Molecular FormulaC20H19ClN4O2
Molecular Weight382.85 g/mol
Exact Mass382.12
IUPAC Name5-acetamido-2-chloro-N-(2-imidazol-1-yl-1-phenylethyl)benzamide
SMILESCC(=O)Nc1ccc(Cl)c(C(=O)NC(Cn2ccnc2)c2ccccc2)c1
InChIInChI=1S/C20H19ClN4O2/c1-14(26)23-16-7-8-18(21)17(11-16)20(27)24-19(12-25-10-9-22-13-25)15-5-3-2-4-6-15/h2-11,13,19H,12H2,1H3,(H,23,26)(H,24,27)
InChIKeyAATNXLRILQHNNJ-UHFFFAOYSA-N
XLogP3.67
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.85
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-2-chloro-N-(2-imidazol-1-yl-1-phenylethyl)benzamide?
The IUPAC name of 5-acetamido-2-chloro-N-(2-imidazol-1-yl-1-phenylethyl)benzamide (CID 50963721) is 5-acetamido-2-chloro-N-(2-imidazol-1-yl-1-phenylethyl)benzamide.
What is the SMILES notation for 5-acetamido-2-chloro-N-(2-imidazol-1-yl-1-phenylethyl)benzamide?
The canonical SMILES for 5-acetamido-2-chloro-N-(2-imidazol-1-yl-1-phenylethyl)benzamide is CC(=O)Nc1ccc(Cl)c(C(=O)NC(Cn2ccnc2)c2ccccc2)c1.
What is the InChIKey of 5-acetamido-2-chloro-N-(2-imidazol-1-yl-1-phenylethyl)benzamide?
The InChIKey is AATNXLRILQHNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O2/c1-14(26)23-16-7-8-18(21)17(11-16)20(27)24-19(12-25-10-9-22-13-25)15-5-3-2-4-6-15/h2-11,13,19H,12H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 5-acetamido-2-chloro-N-(2-imidazol-1-yl-1-phenylethyl)benzamide?
5-acetamido-2-chloro-N-(2-imidazol-1-yl-1-phenylethyl)benzamide has a molecular weight of 382.85 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-2-chloro-N-(2-imidazol-1-yl-1-phenylethyl)benzamide is sourced from PubChem (CID 50963721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).