2-chloro-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-fluorobenzamide

C16H13ClFN3O — CID 82240061

IUPAC2-chloro-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-fluorobenzamide
SMILESO=C(Nc1ccccc1C1=NCCN1)c1c(F)cccc1Cl
InChIInChI=1S/C16H13ClFN3O/c17-11-5-3-6-12(18)14(11)16(22)21-13-7-2-1-4-10(13)15-19-8-9-20-15/h1-7H,8-9H2,(H,19,20)(H,21,22)
InChIKeyMCOKXLZHQWLYTD-UHFFFAOYSA-N
MW317.75 g/mol
LogP3.08
Rot. Bonds3

About 2-chloro-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-fluorobenzamide

2-chloro-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-fluorobenzamide (PubChem CID 82240061) has the molecular formula C16H13ClFN3O and a molecular weight of 317.75 g/mol. Its IUPAC name is 2-chloro-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-fluorobenzamide
PubChem CID82240061
Molecular FormulaC16H13ClFN3O
Molecular Weight317.75 g/mol
Exact Mass317.07
IUPAC Name2-chloro-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-fluorobenzamide
SMILESO=C(Nc1ccccc1C1=NCCN1)c1c(F)cccc1Cl
InChIInChI=1S/C16H13ClFN3O/c17-11-5-3-6-12(18)14(11)16(22)21-13-7-2-1-4-10(13)15-19-8-9-20-15/h1-7H,8-9H2,(H,19,20)(H,21,22)
InChIKeyMCOKXLZHQWLYTD-UHFFFAOYSA-N
XLogP3.08
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82252768
3-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,1-diethylurea
CID 82245948
2-chloro-6-fluoro-N-pyridin-2-ylbenzamide
CID 47142485
2-(2,3-dichlorophenyl)-4,5-dihydro-1H-imidazole
CID 110540705
2-chloro-6-fluoro-N-pyridin-4-ylbenzamide
CID 25236808
2-chloro-6-fluoro-N-[(2-iodophenyl)carbamoyl]benzamide
CID 4052856
2-chloro-N-(3,4-dichlorophenyl)-6-fluorobenzamide
CID 26085744
2-chloro-N-(2-chloro-4-cyanophenyl)-6-fluorobenzamide
CID 103811173
N-(2-bromo-5-chloro-4-methylphenyl)-2-chloro-6-fluorobenzamide
CID 104724195
2-chloro-6-fluoro-N-(2-propoxyphenyl)benzamide
CID 17395083
ethyl 2-[(2-chloro-6-fluorobenzoyl)amino]benzoate
CID 2394461
2-chloro-N-[3-[4-(dimethylamino)cyclohexen-1-yl]-2-fluorophenyl]-6-fluorobenzamide
CID 58852363

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-fluorobenzamide?
The IUPAC name of 2-chloro-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-fluorobenzamide (CID 82240061) is 2-chloro-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-fluorobenzamide is O=C(Nc1ccccc1C1=NCCN1)c1c(F)cccc1Cl.
What is the InChIKey of 2-chloro-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-fluorobenzamide?
The InChIKey is MCOKXLZHQWLYTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN3O/c17-11-5-3-6-12(18)14(11)16(22)21-13-7-2-1-4-10(13)15-19-8-9-20-15/h1-7H,8-9H2,(H,19,20)(H,21,22).
What are the key properties of 2-chloro-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-fluorobenzamide?
2-chloro-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-fluorobenzamide has a molecular weight of 317.75 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-6-fluorobenzamide is sourced from PubChem (CID 82240061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).