2-chloro-3-fluoro-N,N-diphenylaniline

C18H13ClFN — CID 163209826

IUPAC2-chloro-3-fluoro-N,N-diphenylaniline
SMILESFc1cccc(N(c2ccccc2)c2ccccc2)c1Cl
InChIInChI=1S/C18H13ClFN/c19-18-16(20)12-7-13-17(18)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H
InChIKeyKESOAWAFJOHUDB-UHFFFAOYSA-N
MW297.76 g/mol
LogP5.95
Rot. Bonds3

About 2-chloro-3-fluoro-N,N-diphenylaniline

2-chloro-3-fluoro-N,N-diphenylaniline (PubChem CID 163209826) has the molecular formula C18H13ClFN and a molecular weight of 297.76 g/mol. Its IUPAC name is 2-chloro-3-fluoro-N,N-diphenylaniline.

Molecular Properties

Compound Name2-chloro-3-fluoro-N,N-diphenylaniline
PubChem CID163209826
Molecular FormulaC18H13ClFN
Molecular Weight297.76 g/mol
Exact Mass297.07
IUPAC Name2-chloro-3-fluoro-N,N-diphenylaniline
SMILESFc1cccc(N(c2ccccc2)c2ccccc2)c1Cl
InChIInChI=1S/C18H13ClFN/c19-18-16(20)12-7-13-17(18)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H
InChIKeyKESOAWAFJOHUDB-UHFFFAOYSA-N
XLogP5.95
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.76
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-1-N,1-N,3-N,3-N-tetrakis(4-fluorophenyl)benzene-1,3-diamine
CID 146319497
2-chloro-1-N,3-N-bis(3-chlorophenyl)-1-N,3-N-diphenylbenzene-1,3-diamine
CID 134305211
3-N-(2,3-dichlorophenyl)-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 118220081
2,3-dichloro-N-phenyl-N-(4-phenylphenyl)aniline
CID 167288755
2,5-dichloro-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 155431854
1-N,2-N-diphenyl-1-N,2-N-bis[4-(N-phenylanilino)phenyl]benzene-1,2-diamine
CID 24872736
2-bromo-1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 170040263
2-chloro-N,N-diphenyl-3-[3-(N-phenylanilino)phenoxy]aniline
CID 118220078
1-N,4-N-bis(6-chloronaphthalen-1-yl)-1-N,4-N-diphenylbenzene-1,4-diamine
CID 19842977
N-[4-(4-chlorophenyl)phenyl]-N-phenylnaphthalen-1-amine
CID 16755311
N,N-diphenylnaphthalen-1-amine
CID 11392281
N,N-diphenyl-5-[5-[5-(N-phenylanilino)naphthalen-1-yl]naphthalen-1-yl]naphthalen-1-amine
CID 20607956

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-fluoro-N,N-diphenylaniline?
The IUPAC name of 2-chloro-3-fluoro-N,N-diphenylaniline (CID 163209826) is 2-chloro-3-fluoro-N,N-diphenylaniline.
What is the SMILES notation for 2-chloro-3-fluoro-N,N-diphenylaniline?
The canonical SMILES for 2-chloro-3-fluoro-N,N-diphenylaniline is Fc1cccc(N(c2ccccc2)c2ccccc2)c1Cl.
What is the InChIKey of 2-chloro-3-fluoro-N,N-diphenylaniline?
The InChIKey is KESOAWAFJOHUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN/c19-18-16(20)12-7-13-17(18)21(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-13H.
What are the key properties of 2-chloro-3-fluoro-N,N-diphenylaniline?
2-chloro-3-fluoro-N,N-diphenylaniline has a molecular weight of 297.76 g/mol, XLogP of 5.95, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-fluoro-N,N-diphenylaniline is sourced from PubChem (CID 163209826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).