5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide

C15H14ClFN2O — CID 78912773

IUPAC5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
SMILESCN(C)c1cccc(NC(=O)c2cc(Cl)ccc2F)c1
InChIInChI=1S/C15H14ClFN2O/c1-19(2)12-5-3-4-11(9-12)18-15(20)13-8-10(16)6-7-14(13)17/h3-9H,1-2H3,(H,18,20)
InChIKeyFHMUJYPYIPMICL-UHFFFAOYSA-N
MW292.74 g/mol
LogP3.80
Rot. Bonds3

About 5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide

5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide (PubChem CID 78912773) has the molecular formula C15H14ClFN2O and a molecular weight of 292.74 g/mol. Its IUPAC name is 5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
PubChem CID78912773
Molecular FormulaC15H14ClFN2O
Molecular Weight292.74 g/mol
Exact Mass292.08
IUPAC Name5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
SMILESCN(C)c1cccc(NC(=O)c2cc(Cl)ccc2F)c1
InChIInChI=1S/C15H14ClFN2O/c1-19(2)12-5-3-4-11(9-12)18-15(20)13-8-10(16)6-7-14(13)17/h3-9H,1-2H3,(H,18,20)
InChIKeyFHMUJYPYIPMICL-UHFFFAOYSA-N
XLogP3.80
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.74
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide
CID 78906644
4-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 2310755
5-chloro-N-[3-(dimethylsulfamoyl)phenyl]-2-fluorobenzamide
CID 9077073
N-[3-(dimethylamino)phenyl]-2-fluoro-3-methylbenzamide
CID 115376734
N'-(3-chlorophenyl)-N-[3-(dimethylamino)phenyl]oxamide
CID 108516523
N-(3-chlorophenyl)-3-(dimethylamino)benzamide
CID 690525
2-chloro-N-[3-(dimethylamino)phenyl]-5-sulfanylbenzamide
CID 107033296
3-amino-2-chloro-N-[3-(dimethylamino)phenyl]benzamide
CID 115930633
3-amino-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 110488278
2-chloro-N-[3-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 84580348
3-bromo-N-[3-(dimethylamino)phenyl]-4-fluorobenzamide
CID 107952935
N-(3-chlorophenyl)-2-fluorobenzamide
CID 531935

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide?
The IUPAC name of 5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide (CID 78912773) is 5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide.
What is the SMILES notation for 5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide?
The canonical SMILES for 5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide is CN(C)c1cccc(NC(=O)c2cc(Cl)ccc2F)c1.
What is the InChIKey of 5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide?
The InChIKey is FHMUJYPYIPMICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFN2O/c1-19(2)12-5-3-4-11(9-12)18-15(20)13-8-10(16)6-7-14(13)17/h3-9H,1-2H3,(H,18,20).
What are the key properties of 5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide?
5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide has a molecular weight of 292.74 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(dimethylamino)phenyl]-2-fluorobenzamide is sourced from PubChem (CID 78912773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).