4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile

C20H13ClFNO — CID 175686449

IUPAC4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile
SMILESN#Cc1ccc(-c2ccc(Cl)cc2F)cc1OCc1ccccc1
InChIInChI=1S/C20H13ClFNO/c21-17-8-9-18(19(22)11-17)15-6-7-16(12-23)20(10-15)24-13-14-4-2-1-3-5-14/h1-11H,13H2
InChIKeyLHWOIIIKQSKRRO-UHFFFAOYSA-N
MW337.78 g/mol
LogP5.60
Rot. Bonds4

About 4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile

4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile (PubChem CID 175686449) has the molecular formula C20H13ClFNO and a molecular weight of 337.78 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile
PubChem CID175686449
Molecular FormulaC20H13ClFNO
Molecular Weight337.78 g/mol
Exact Mass337.07
IUPAC Name4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile
SMILESN#Cc1ccc(-c2ccc(Cl)cc2F)cc1OCc1ccccc1
InChIInChI=1S/C20H13ClFNO/c21-17-8-9-18(19(22)11-17)15-6-7-16(12-23)20(10-15)24-13-14-4-2-1-3-5-14/h1-11H,13H2
InChIKeyLHWOIIIKQSKRRO-UHFFFAOYSA-N
XLogP5.60
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.78
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,5-difluorophenyl)-2-phenylmethoxybenzonitrile
CID 175686453
[5-(4-chloro-2-fluorophenyl)-2-phenylmethoxyphenyl]methanamine
CID 172650028
5-[(5-chloro-2-cyanophenoxy)methyl]-2-fluorobenzonitrile
CID 103768202
4-chloro-2-[(4-cyanophenyl)methoxy]benzonitrile
CID 80708494
2-[(4-aminophenyl)methoxy]-4-chlorobenzonitrile
CID 63082961
4-chloro-2-[(4-iodophenyl)methoxy]benzonitrile
CID 113277305
4-chloro-2-[[4-(hydroxymethyl)phenyl]methoxy]benzonitrile
CID 112630475
3-phenylmethoxynaphthalene-2-carbonitrile
CID 86260131
2-[4-[(5-chloro-2-cyanophenoxy)methyl]phenyl]acetic acid
CID 105345008
4-(4-chloro-2-fluoroanilino)-7-phenylmethoxyquinoline-6-carbonitrile;hydrochloride
CID 22646535
4-(2-cyanoacetyl)-5-fluoro-2-phenylmethoxybenzonitrile
CID 142080887
4-(aminomethyl)-2-phenylmethoxybenzonitrile
CID 22476142

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile (CID 175686449) is 4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile is N#Cc1ccc(-c2ccc(Cl)cc2F)cc1OCc1ccccc1.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile?
The InChIKey is LHWOIIIKQSKRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFNO/c21-17-8-9-18(19(22)11-17)15-6-7-16(12-23)20(10-15)24-13-14-4-2-1-3-5-14/h1-11H,13H2.
What are the key properties of 4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile?
4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile has a molecular weight of 337.78 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-2-phenylmethoxybenzonitrile is sourced from PubChem (CID 175686449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).