N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide

C15H14F2N2O — CID 113092466

IUPACN-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide
SMILESCN(C)c1ccc(F)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H14F2N2O/c1-19(2)14-8-7-12(17)9-13(14)18-15(20)10-3-5-11(16)6-4-10/h3-9H,1-2H3,(H,18,20)
InChIKeyXGPNUGKVMNLFOS-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.28
Rot. Bonds3

About N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide

N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide (PubChem CID 113092466) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide
PubChem CID113092466
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide
SMILESCN(C)c1ccc(F)cc1NC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H14F2N2O/c1-19(2)14-8-7-12(17)9-13(14)18-15(20)10-3-5-11(16)6-4-10/h3-9H,1-2H3,(H,18,20)
InChIKeyXGPNUGKVMNLFOS-UHFFFAOYSA-N
XLogP3.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(dimethylamino)-5-fluorophenyl]benzamide
CID 113092460
4-chloro-N-(2,5-difluorophenyl)benzamide
CID 2969912
N-[5-chloro-2-(dimethylamino)phenyl]-4-fluoro-2-methylbenzamide
CID 115745652
N-[2-[acetyl(methyl)amino]-5-fluorophenyl]-3,4-dimethylbenzamide
CID 113092818
4-fluoro-2-[(4-fluorobenzoyl)amino]benzoic acid
CID 16789233
4-bromo-N-[5-chloro-2-(dimethylamino)phenyl]benzamide
CID 55336483
N-[5-carbamoyl-2-(dimethylamino)phenyl]-5-fluoropyridine-3-carboxamide
CID 75468791
4-bromo-N-[5-bromo-2-(dimethylamino)phenyl]-3-fluorobenzamide
CID 63526166
N-[5-amino-2-(diethylamino)phenyl]-4-fluorobenzamide
CID 91675984
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923
1-N,4-N-bis(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 3596826
N-(2-bromo-4-fluorophenyl)-4-fluorobenzamide
CID 28938573

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide?
The IUPAC name of N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide (CID 113092466) is N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide is CN(C)c1ccc(F)cc1NC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide?
The InChIKey is XGPNUGKVMNLFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-19(2)14-8-7-12(17)9-13(14)18-15(20)10-3-5-11(16)6-4-10/h3-9H,1-2H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide?
N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide has a molecular weight of 276.29 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-5-fluorophenyl]-4-fluorobenzamide is sourced from PubChem (CID 113092466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).