N-[4-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide

C22H21FN2O3 — CID 112982381

IUPACN-[4-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(NCc3ccccc3F)cc2)c1
InChIInChI=1S/C22H21FN2O3/c1-27-19-11-16(12-20(13-19)28-2)22(26)25-18-9-7-17(8-10-18)24-14-15-5-3-4-6-21(15)23/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyQRBBFGVFLCBXMJ-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.71
Rot. Bonds7

About N-[4-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide

N-[4-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide (PubChem CID 112982381) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[4-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
PubChem CID112982381
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC NameN-[4-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(NCc3ccccc3F)cc2)c1
InChIInChI=1S/C22H21FN2O3/c1-27-19-11-16(12-20(13-19)28-2)22(26)25-18-9-7-17(8-10-18)24-14-15-5-3-4-6-21(15)23/h3-13,24H,14H2,1-2H3,(H,25,26)
InChIKeyQRBBFGVFLCBXMJ-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-[(2-fluorophenyl)methylamino]phenyl]-4-methoxybenzamide
CID 112982380
N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
CID 112982463
N-[4-[(2-fluorophenyl)methylamino]phenyl]-2,6-dimethoxybenzamide
CID 112982382
methyl N-[4-[(2-fluorophenyl)methylamino]phenyl]carbamate
CID 43730341
N-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986757
4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2677119
3,5-dimethoxy-N-[4-(2-phenylethylamino)phenyl]benzamide
CID 112983238
N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
1-[4-[(2-fluorophenyl)methylamino]phenyl]-3-methylurea
CID 43744437
5-[2-(2-fluorophenyl)ethylamino]-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 109236376
N-[4-[3-(dimethylamino)propylamino]phenyl]-3,5-dimethoxybenzamide
CID 112981519
[3-[[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]carbamoyl]phenyl] acetate
CID 108927714

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide (CID 112982381) is N-[4-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(NCc3ccccc3F)cc2)c1.
What is the InChIKey of N-[4-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide?
The InChIKey is QRBBFGVFLCBXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-27-19-11-16(12-20(13-19)28-2)22(26)25-18-9-7-17(8-10-18)24-14-15-5-3-4-6-21(15)23/h3-13,24H,14H2,1-2H3,(H,25,26).
What are the key properties of N-[4-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide?
N-[4-[(2-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-[(2-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 112982381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).