3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide

C20H17FN2O2 — CID 112987423

IUPAC3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide
SMILESCOc1cccc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)c1
InChIInChI=1S/C20H17FN2O2/c1-25-19-7-3-6-18(13-19)22-16-8-10-17(11-9-16)23-20(24)14-4-2-5-15(21)12-14/h2-13,22H,1H3,(H,23,24)
InChIKeyCFCWUDRZDPVJAW-UHFFFAOYSA-N
MW336.37 g/mol
LogP4.83
Rot. Bonds5

About 3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide

3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide (PubChem CID 112987423) has the molecular formula C20H17FN2O2 and a molecular weight of 336.37 g/mol. Its IUPAC name is 3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide
PubChem CID112987423
Molecular FormulaC20H17FN2O2
Molecular Weight336.37 g/mol
Exact Mass336.13
IUPAC Name3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide
SMILESCOc1cccc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)c1
InChIInChI=1S/C20H17FN2O2/c1-25-19-7-3-6-18(13-19)22-16-8-10-17(11-9-16)23-20(24)14-4-2-5-15(21)12-14/h2-13,22H,1H3,(H,23,24)
InChIKeyCFCWUDRZDPVJAW-UHFFFAOYSA-N
XLogP4.83
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-(4-fluorophenyl)-3-N-(3-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057463
N-[4-(3-methoxyanilino)phenyl]pyridine-3-carboxamide
CID 112987448
3-N-(3-methoxyphenyl)-1-N-(4-methoxyphenyl)benzene-1,3-dicarboxamide
CID 109057620
N-[4-(3-fluoroanilino)phenyl]benzamide
CID 112988934
5-(3-fluoroanilino)-N-(3-methoxyphenyl)pyridine-2-carboxamide
CID 109199794
N-[4-(4-fluoroanilino)phenyl]-3,5-dimethoxybenzamide
CID 112986846
2-(4-fluoroanilino)-N-(3-methoxyphenyl)pyrimidine-5-carboxamide
CID 109268538
N-(4-fluorophenyl)-2-[(3-methoxybenzoyl)amino]benzamide
CID 1228531
3-fluoro-N-[4-[3-[4-[(3-fluorobenzoyl)amino]phenoxy]phenoxy]phenyl]benzamide
CID 3108222
3-methoxy-N-[5-(3-methoxyanilino)-2-pyridinyl]benzamide
CID 113034061
3-fluoro-N-[3-[[[2-(3-methoxyphenyl)acetyl]amino]methyl]phenyl]benzamide
CID 55894310
N-(4-aminophenyl)-3-methoxybenzamide
CID 8566724

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide (CID 112987423) is 3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide is COc1cccc(Nc2ccc(NC(=O)c3cccc(F)c3)cc2)c1.
What is the InChIKey of 3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide?
The InChIKey is CFCWUDRZDPVJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O2/c1-25-19-7-3-6-18(13-19)22-16-8-10-17(11-9-16)23-20(24)14-4-2-5-15(21)12-14/h2-13,22H,1H3,(H,23,24).
What are the key properties of 3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide?
3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide has a molecular weight of 336.37 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(3-methoxyanilino)phenyl]benzamide is sourced from PubChem (CID 112987423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).