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

C21H19FN2O3 — CID 112986846

IUPACN-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Nc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C21H19FN2O3/c1-26-19-11-14(12-20(13-19)27-2)21(25)24-18-9-7-17(8-10-18)23-16-5-3-15(22)4-6-16/h3-13,23H,1-2H3,(H,24,25)
InChIKeyNZFFXEXKHDMFBJ-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.84
Rot. Bonds6

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

N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide (PubChem CID 112986846) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide.

Molecular Properties

Compound NameN-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
PubChem CID112986846
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC NameN-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(Nc3ccc(F)cc3)cc2)c1
InChIInChI=1S/C21H19FN2O3/c1-26-19-11-14(12-20(13-19)27-2)21(25)24-18-9-7-17(8-10-18)23-16-5-3-15(22)4-6-16/h3-13,23H,1-2H3,(H,24,25)
InChIKeyNZFFXEXKHDMFBJ-UHFFFAOYSA-N
XLogP4.84
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.39
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-(4-acetylanilino)phenyl]-3,5-dimethoxybenzamide
CID 112988213
N-[4-[(4-fluorophenyl)methylamino]phenyl]-3,5-dimethoxybenzamide
CID 112982463
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,5-dimethoxybenzamide
CID 1303974
N-[4-(2-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986757
3,5-dimethoxy-N-[4-(3-methylanilino)phenyl]benzamide
CID 112985952
2-[(3,5-dimethoxybenzoyl)amino]-N-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 16915255
4-[(3,5-dimethoxybenzoyl)amino]benzoate
CID 3699347
3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide
CID 112987423
N-[3-(4-fluoroanilino)-3-oxopropyl]-3,5-dimethoxybenzamide
CID 17191634
N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide
CID 112987930
1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
N-[(Z)-[4-(4-fluoroanilino)-4-oxobutan-2-ylidene]amino]-3,5-dimethoxybenzamide
CID 6381242

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide?
The IUPAC name of N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide (CID 112986846) is N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide.
What is the SMILES notation for N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide?
The canonical SMILES for N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide is COc1cc(OC)cc(C(=O)Nc2ccc(Nc3ccc(F)cc3)cc2)c1.
What is the InChIKey of N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide?
The InChIKey is NZFFXEXKHDMFBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-26-19-11-14(12-20(13-19)27-2)21(25)24-18-9-7-17(8-10-18)23-16-5-3-15(22)4-6-16/h3-13,23H,1-2H3,(H,24,25).
What are the key properties of N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide?
N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide has a molecular weight of 366.39 g/mol, XLogP of 4.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide is sourced from PubChem (CID 112986846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).