N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide

C21H19FN2O3 — CID 112987930

IUPACN-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)c(OC)c1
InChIInChI=1S/C21H19FN2O3/c1-26-18-11-12-19(20(13-18)27-2)23-16-7-9-17(10-8-16)24-21(25)14-3-5-15(22)6-4-14/h3-13,23H,1-2H3,(H,24,25)
InChIKeyVHCGKZFMVHZOBN-UHFFFAOYSA-N
MW366.39 g/mol
LogP4.84
Rot. Bonds6

About N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide

N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide (PubChem CID 112987930) has the molecular formula C21H19FN2O3 and a molecular weight of 366.39 g/mol. Its IUPAC name is N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide
PubChem CID112987930
Molecular FormulaC21H19FN2O3
Molecular Weight366.39 g/mol
Exact Mass366.14
IUPAC NameN-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide
SMILESCOc1ccc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)c(OC)c1
InChIInChI=1S/C21H19FN2O3/c1-26-18-11-12-19(20(13-18)27-2)23-16-7-9-17(10-8-16)24-21(25)14-3-5-15(22)6-4-14/h3-13,23H,1-2H3,(H,24,25)
InChIKeyVHCGKZFMVHZOBN-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

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
N-(4-acetylphenyl)-5-(2,4-dimethoxyanilino)pyridine-2-carboxamide
CID 109200229
3-anilino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 18626285
N-[4-[4-(2,4-dimethoxyanilino)-1-(4-fluorophenyl)-2,5-dioxopyrrol-3-yl]sulfanylphenyl]-4-methoxybenzamide
CID 83274721
N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
N-[5-(2,4-dimethoxyanilino)-2-pyridinyl]-4-methylbenzamide
CID 113034689
2-chloro-N-[4-(2,4-dimethoxyanilino)phenyl]benzamide
CID 112987942
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-[4-[2-[2-(2,4-dimethoxyanilino)-2-oxoethyl]tetrazol-5-yl]phenyl]-4-fluorobenzamide
CID 1440057
N-[4-(5-chloro-2-methoxyanilino)phenyl]-4-methoxybenzamide
CID 112987245
N-[4-(3,4-dimethoxyanilino)phenyl]-4-methoxybenzamide
CID 112987995
5-(2,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109245660

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide (CID 112987930) is N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide is COc1ccc(Nc2ccc(NC(=O)c3ccc(F)cc3)cc2)c(OC)c1.
What is the InChIKey of N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide?
The InChIKey is VHCGKZFMVHZOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O3/c1-26-18-11-12-19(20(13-18)27-2)23-16-7-9-17(10-8-16)24-21(25)14-3-5-15(22)6-4-14/h3-13,23H,1-2H3,(H,24,25).
What are the key properties of N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide?
N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide 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-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide is sourced from PubChem (CID 112987930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).