4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide

C20H16F2N2O — CID 112982456

IUPAC4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
SMILESO=C(Nc1ccc(NCc2ccc(F)cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H16F2N2O/c21-16-5-1-14(2-6-16)13-23-18-9-11-19(12-10-18)24-20(25)15-3-7-17(22)8-4-15/h1-12,23H,13H2,(H,24,25)
InChIKeyDQKSMAVCWIOGNW-UHFFFAOYSA-N
MW338.36 g/mol
LogP4.83
Rot. Bonds5

About 4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide

4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide (PubChem CID 112982456) has the molecular formula C20H16F2N2O and a molecular weight of 338.36 g/mol. Its IUPAC name is 4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
PubChem CID112982456
Molecular FormulaC20H16F2N2O
Molecular Weight338.36 g/mol
Exact Mass338.12
IUPAC Name4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
SMILESO=C(Nc1ccc(NCc2ccc(F)cc2)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H16F2N2O/c21-16-5-1-14(2-6-16)13-23-18-9-11-19(12-10-18)24-20(25)15-3-7-17(22)8-4-15/h1-12,23H,13H2,(H,24,25)
InChIKeyDQKSMAVCWIOGNW-UHFFFAOYSA-N
XLogP4.83
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-fluorophenyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047271
N-(4-fluorophenyl)-4-[[(5-methylpyrimidin-2-yl)amino]methyl]benzamide
CID 133404406
N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
CID 112982463
1-N-[(4-fluorophenyl)methyl]-4-N-(4-methylphenyl)benzene-1,4-dicarboxamide
CID 109047255
N-(4-fluorophenyl)-4-[(pyrazin-2-ylamino)methyl]benzamide
CID 122144317
4-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 1133337
N-[[4-[(4-fluorophenyl)carbamoyl]phenyl]methyl]pyridine-4-carboxamide
CID 71918325
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2,2-dimethylpropanamide
CID 112982446
4-fluoro-N-[4-[(2-methylphenyl)methylamino]phenyl]benzamide
CID 112982011
4-[(4-fluoroanilino)methyl]-N-(2-methoxyethyl)benzamide
CID 110170555
N-(4-fluorophenyl)-4-[[[6-(trifluoromethyl)pyridazin-3-yl]amino]methyl]benzamide
CID 133420283
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide (CID 112982456) is 4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide is O=C(Nc1ccc(NCc2ccc(F)cc2)cc1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide?
The InChIKey is DQKSMAVCWIOGNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2O/c21-16-5-1-14(2-6-16)13-23-18-9-11-19(12-10-18)24-20(25)15-3-7-17(22)8-4-15/h1-12,23H,13H2,(H,24,25).
What are the key properties of 4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide?
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide has a molecular weight of 338.36 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide is sourced from PubChem (CID 112982456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).