2-(4-butylanilino)-5-fluorobenzonitrile

C17H17FN2 — CID 63668868

IUPAC2-(4-butylanilino)-5-fluorobenzonitrile
SMILESCCCCc1ccc(Nc2ccc(F)cc2C#N)cc1
InChIInChI=1S/C17H17FN2/c1-2-3-4-13-5-8-16(9-6-13)20-17-10-7-15(18)11-14(17)12-19/h5-11,20H,2-4H2,1H3
InChIKeyBHQPYINZSQOSEL-UHFFFAOYSA-N
MW268.34 g/mol
LogP4.78
Rot. Bonds5

About 2-(4-butylanilino)-5-fluorobenzonitrile

2-(4-butylanilino)-5-fluorobenzonitrile (PubChem CID 63668868) has the molecular formula C17H17FN2 and a molecular weight of 268.34 g/mol. Its IUPAC name is 2-(4-butylanilino)-5-fluorobenzonitrile.

Molecular Properties

Compound Name2-(4-butylanilino)-5-fluorobenzonitrile
PubChem CID63668868
Molecular FormulaC17H17FN2
Molecular Weight268.34 g/mol
Exact Mass268.14
IUPAC Name2-(4-butylanilino)-5-fluorobenzonitrile
SMILESCCCCc1ccc(Nc2ccc(F)cc2C#N)cc1
InChIInChI=1S/C17H17FN2/c1-2-3-4-13-5-8-16(9-6-13)20-17-10-7-15(18)11-14(17)12-19/h5-11,20H,2-4H2,1H3
InChIKeyBHQPYINZSQOSEL-UHFFFAOYSA-N
XLogP4.78
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(4-butylanilino)-3-fluorobenzonitrile
CID 107533222
2-N-(4-butylphenyl)-4-fluorobenzene-1,2-diamine
CID 63403132
2-(4-aminoanilino)-5-fluorobenzonitrile
CID 63672563
2-(4-ethylanilino)-5-methylbenzonitrile
CID 114016768
2-(3,4-difluoroanilino)-5-fluorobenzonitrile
CID 63668514
5-fluoro-2-(5-fluoro-2-methylanilino)benzonitrile
CID 63667159
2-[4-(aminomethyl)anilino]-4-fluorobenzonitrile
CID 66616777
5-fluoro-2-(heptan-3-ylamino)benzonitrile
CID 82015181
5-fluoro-2-(octan-4-ylamino)benzonitrile
CID 106024591
5-fluoro-2-(4-fluoro-2-iodoanilino)benzonitrile
CID 79766541
2-(2-amino-4-fluoroanilino)-5-fluorobenzonitrile
CID 82013407
5-fluoro-2-[3-(methoxymethyl)anilino]benzonitrile
CID 63669379

Frequently Asked Questions

What is the IUPAC name of 2-(4-butylanilino)-5-fluorobenzonitrile?
The IUPAC name of 2-(4-butylanilino)-5-fluorobenzonitrile (CID 63668868) is 2-(4-butylanilino)-5-fluorobenzonitrile.
What is the SMILES notation for 2-(4-butylanilino)-5-fluorobenzonitrile?
The canonical SMILES for 2-(4-butylanilino)-5-fluorobenzonitrile is CCCCc1ccc(Nc2ccc(F)cc2C#N)cc1.
What is the InChIKey of 2-(4-butylanilino)-5-fluorobenzonitrile?
The InChIKey is BHQPYINZSQOSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2/c1-2-3-4-13-5-8-16(9-6-13)20-17-10-7-15(18)11-14(17)12-19/h5-11,20H,2-4H2,1H3.
What are the key properties of 2-(4-butylanilino)-5-fluorobenzonitrile?
2-(4-butylanilino)-5-fluorobenzonitrile has a molecular weight of 268.34 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylanilino)-5-fluorobenzonitrile is sourced from PubChem (CID 63668868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).