N-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]-4-fluorobenzamide

C17H13ClFN3O — CID 35263976

IUPACN-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]-4-fluorobenzamide
SMILESCn1c(-c2cccc(Cl)c2)cnc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H13ClFN3O/c1-22-15(12-3-2-4-13(18)9-12)10-20-17(22)21-16(23)11-5-7-14(19)8-6-11/h2-10H,1H3,(H,20,21,23)
InChIKeyHFALMQRCCUCLSX-UHFFFAOYSA-N
MW329.76 g/mol
LogP4.13
Rot. Bonds3

About N-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]-4-fluorobenzamide

N-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]-4-fluorobenzamide (PubChem CID 35263976) has the molecular formula C17H13ClFN3O and a molecular weight of 329.76 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]-4-fluorobenzamide
PubChem CID35263976
Molecular FormulaC17H13ClFN3O
Molecular Weight329.76 g/mol
Exact Mass329.07
IUPAC NameN-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]-4-fluorobenzamide
SMILESCn1c(-c2cccc(Cl)c2)cnc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C17H13ClFN3O/c1-22-15(12-3-2-4-13(18)9-12)10-20-17(22)21-16(23)11-5-7-14(19)8-6-11/h2-10H,1H3,(H,20,21,23)
InChIKeyHFALMQRCCUCLSX-UHFFFAOYSA-N
XLogP4.13
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.76
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]-4-fluorobenzamide?
The IUPAC name of N-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]-4-fluorobenzamide (CID 35263976) is N-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]-4-fluorobenzamide.
What is the SMILES notation for N-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]-4-fluorobenzamide?
The canonical SMILES for N-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]-4-fluorobenzamide is Cn1c(-c2cccc(Cl)c2)cnc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]-4-fluorobenzamide?
The InChIKey is HFALMQRCCUCLSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFN3O/c1-22-15(12-3-2-4-13(18)9-12)10-20-17(22)21-16(23)11-5-7-14(19)8-6-11/h2-10H,1H3,(H,20,21,23).
What are the key properties of N-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]-4-fluorobenzamide?
N-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]-4-fluorobenzamide has a molecular weight of 329.76 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-1-methylimidazol-2-yl]-4-fluorobenzamide is sourced from PubChem (CID 35263976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).