N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide

C22H21FN2O3 — CID 112982463

IUPACN-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(NCc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C22H21FN2O3/c1-27-20-11-16(12-21(13-20)28-2)22(26)25-19-9-7-18(8-10-19)24-14-15-3-5-17(23)6-4-15/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyUPLBCLZTZCHZMH-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.71
Rot. Bonds7

About N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide

N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide (PubChem CID 112982463) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
PubChem CID112982463
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC NameN-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(NCc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C22H21FN2O3/c1-27-20-11-16(12-21(13-20)28-2)22(26)25-19-9-7-18(8-10-19)24-14-15-3-5-17(23)6-4-15/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyUPLBCLZTZCHZMH-UHFFFAOYSA-N
XLogP4.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
4-fluoro-N-[4-[(4-fluorophenyl)methylamino]phenyl]benzamide
CID 112982456
3,4-difluoro-N-[4-[(4-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982736
N-[4-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
CID 112982381
N-[4-[(3,5-dimethoxyanilino)methyl]phenyl]acetamide
CID 43824322
N-[(4-fluorophenyl)methyl]-4-[(4-methoxybenzoyl)amino]benzamide
CID 87005885
3,5-dimethoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983238
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
CID 1303974
N-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113011445
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,5-dimethoxybenzamide
CID 112981519
N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191634
6-[(4-fluorophenyl)methylamino]-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109348330

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide (CID 112982463) is N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(NCc3ccc(F)cc3)cc2)c1.
What is the InChIKey of N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide?
The InChIKey is UPLBCLZTZCHZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-27-20-11-16(12-21(13-20)28-2)22(26)25-19-9-7-18(8-10-19)24-14-15-3-5-17(23)6-4-15/h3-13,24H,14H2,1-2H3,(H,25,26).
What are the key properties of N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide?
N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide has a molecular weight of 380.42 g/mol, XLogP of 4.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 112982463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).