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

C20H16FNO2 — CID 2114068

IUPAC4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
SMILESCc1cccc(Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C20H16FNO2/c1-14-3-2-4-19(13-14)24-18-11-9-17(10-12-18)22-20(23)15-5-7-16(21)8-6-15/h2-13H,1H3,(H,22,23)
InChIKeyHUBDCFZNSDOZNI-UHFFFAOYSA-N
MW321.35 g/mol
LogP5.18
Rot. Bonds4

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

4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide (PubChem CID 2114068) has the molecular formula C20H16FNO2 and a molecular weight of 321.35 g/mol. Its IUPAC name is 4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
PubChem CID2114068
Molecular FormulaC20H16FNO2
Molecular Weight321.35 g/mol
Exact Mass321.12
IUPAC Name4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide
SMILESCc1cccc(Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1
InChIInChI=1S/C20H16FNO2/c1-14-3-2-4-19(13-14)24-18-11-9-17(10-12-18)22-20(23)15-5-7-16(21)8-6-15/h2-13H,1H3,(H,22,23)
InChIKeyHUBDCFZNSDOZNI-UHFFFAOYSA-N
XLogP5.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.35
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-fluorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650951
N-(4-acetylphenyl)-4-(3-methylphenoxy)benzamide
CID 16650962
N-(4-chlorophenyl)-4-(3-methylphenoxy)benzamide
CID 16650944
N-(4-fluorophenyl)-4-(4-methylphenoxy)benzamide
CID 16651045
1-N-(4-fluorophenyl)-4-N-(3-methylphenyl)benzene-1,4-dicarboxamide
CID 109049357
N-(3-methylphenyl)-4-[4-[(3-methylphenyl)carbamoyl]phenoxy]benzamide
CID 3539312
N-[4-(3-methylphenoxy)phenyl]-4-(methylsulfanylmethyl)benzamide
CID 7925023
4-(cyclopropylcarbamoylamino)-N-[4-(3-methylphenoxy)phenyl]benzamide
CID 55678662
N-(3-methylphenyl)-4-phenoxybenzamide
CID 7946520
4-tert-butyl-N-[4-(3-fluorophenoxy)phenyl]benzamide
CID 142594929
4-(3-methylphenoxy)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 16650952
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(3-methylphenoxy)benzamide
CID 16650954

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide?
The IUPAC name of 4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide (CID 2114068) is 4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide.
What is the SMILES notation for 4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide?
The canonical SMILES for 4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide is Cc1cccc(Oc2ccc(NC(=O)c3ccc(F)cc3)cc2)c1.
What is the InChIKey of 4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide?
The InChIKey is HUBDCFZNSDOZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FNO2/c1-14-3-2-4-19(13-14)24-18-11-9-17(10-12-18)22-20(23)15-5-7-16(21)8-6-15/h2-13H,1H3,(H,22,23).
What are the key properties of 4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide?
4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide has a molecular weight of 321.35 g/mol, XLogP of 5.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(3-methylphenoxy)phenyl]benzamide is sourced from PubChem (CID 2114068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).