N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide

C22H21FN2O3 — CID 112982382

IUPACN-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C22H21FN2O3/c1-27-19-8-5-9-20(28-2)21(19)22(26)25-17-12-10-16(11-13-17)24-14-15-6-3-4-7-18(15)23/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeySBPSIUYGIWNDAH-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.71
Rot. Bonds7

About N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide

N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide (PubChem CID 112982382) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide
PubChem CID112982382
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC NameN-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide
SMILESCOc1cccc(OC)c1C(=O)Nc1ccc(NCc2ccccc2F)cc1
InChIInChI=1S/C22H21FN2O3/c1-27-19-8-5-9-20(28-2)21(19)22(26)25-17-12-10-16(11-13-17)24-14-15-6-3-4-7-18(15)23/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeySBPSIUYGIWNDAH-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-(benzylamino)phenyl]-2,6-dimethoxybenzamide
CID 112981913
N-[4-[(2-fluorophenyl)methylamino]phenyl]-4-methoxybenzamide
CID 112982380
methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate
CID 43730341
N-[4-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
CID 112982381
2,3,4-trifluoro-N-[4-[(2-methoxyphenyl)methylamino]phenyl]benzamide
CID 112982662
N-[4-[2-(2-fluorophenyl)ethylamino]phenyl]-2-methoxybenzamide
CID 112983392
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2-methoxybenzamide
CID 113026998
N-[5-[2-(2-fluorophenyl)ethylamino]-2-pyridinyl]-2,6-dimethoxybenzamide
CID 113028188
N-[2-[(2-fluorophenyl)methylamino]-2-oxoethyl]-2,6-dimethoxybenzamide
CID 112992471
1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744437
N-[(2-fluorophenyl)methyl]-5-[(2-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109189345
5-[(2-fluorophenyl)methylamino]-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109189465

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide?
The IUPAC name of N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide (CID 112982382) is N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide.
What is the SMILES notation for N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide?
The canonical SMILES for N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide is COc1cccc(OC)c1C(=O)Nc1ccc(NCc2ccccc2F)cc1.
What is the InChIKey of N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide?
The InChIKey is SBPSIUYGIWNDAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-27-19-8-5-9-20(28-2)21(19)22(26)25-17-12-10-16(11-13-17)24-14-15-6-3-4-7-18(15)23/h3-13,24H,14H2,1-2H3,(H,25,26).
What are the key properties of N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide?
N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-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-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide is sourced from PubChem (CID 112982382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).