2-chloro-4-fluoro-N-(2-phenylprop-2-enyl)aniline

C15H13ClFN — CID 113288100

IUPAC2-chloro-4-fluoro-N-(2-phenylprop-2-enyl)aniline
SMILESC=C(CNc1ccc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C15H13ClFN/c1-11(12-5-3-2-4-6-12)10-18-15-8-7-13(17)9-14(15)16/h2-9,18H,1,10H2
InChIKeyGBWJJIHVKRVOIZ-UHFFFAOYSA-N
MW261.73 g/mol
LogP4.60
Rot. Bonds4

About 2-chloro-4-fluoro-N-(2-phenylprop-2-enyl)aniline

2-chloro-4-fluoro-N-(2-phenylprop-2-enyl)aniline (PubChem CID 113288100) has the molecular formula C15H13ClFN and a molecular weight of 261.73 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-phenylprop-2-enyl)aniline.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-phenylprop-2-enyl)aniline
PubChem CID113288100
Molecular FormulaC15H13ClFN
Molecular Weight261.73 g/mol
Exact Mass261.07
IUPAC Name2-chloro-4-fluoro-N-(2-phenylprop-2-enyl)aniline
SMILESC=C(CNc1ccc(F)cc1Cl)c1ccccc1
InChIInChI=1S/C15H13ClFN/c1-11(12-5-3-2-4-6-12)10-18-15-8-7-13(17)9-14(15)16/h2-9,18H,1,10H2
InChIKeyGBWJJIHVKRVOIZ-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.73
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-chloro-4-fluoroanilino)-N-[(1R)-1-phenylethyl]acetamide
CID 9099533
3,5-dichloro-N-(2-phenylprop-2-enyl)aniline
CID 113288075
2-chloro-N-[(2-chlorophenyl)methyl]-4-fluoroaniline
CID 28878906
ethyl 2-[(2-chloro-4-fluoroanilino)methyl]prop-2-enoate
CID 103236693
5-chloro-N-(2-phenylprop-2-enyl)quinolin-8-amine
CID 116783955
2-(2-chloro-4-fluoroanilino)-N-(2,6-dichlorophenyl)acetamide
CID 43404197
2-methoxy-N-(2-phenylprop-2-enyl)aniline
CID 113288070
2-chloro-4-fluoro-N-phenylaniline
CID 86051149
3,5-dichloro-N-(2-phenylprop-2-enyl)-8λ4-thia-7,9-diazabicyclo[4.3.0]nona-1(6),2,4,7,8-pentaen-2-amine
CID 115328348
4-[(2-chloro-4-fluoroanilino)methyl]benzoic acid
CID 55049785
4-benzamido-N-(2-chloro-4-fluorophenyl)benzamide
CID 30705488
3-chloro-2-[(2-chloro-4-fluoroanilino)methyl]phenol
CID 114317924

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-phenylprop-2-enyl)aniline?
The IUPAC name of 2-chloro-4-fluoro-N-(2-phenylprop-2-enyl)aniline (CID 113288100) is 2-chloro-4-fluoro-N-(2-phenylprop-2-enyl)aniline.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-phenylprop-2-enyl)aniline?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-phenylprop-2-enyl)aniline is C=C(CNc1ccc(F)cc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-phenylprop-2-enyl)aniline?
The InChIKey is GBWJJIHVKRVOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN/c1-11(12-5-3-2-4-6-12)10-18-15-8-7-13(17)9-14(15)16/h2-9,18H,1,10H2.
What are the key properties of 2-chloro-4-fluoro-N-(2-phenylprop-2-enyl)aniline?
2-chloro-4-fluoro-N-(2-phenylprop-2-enyl)aniline has a molecular weight of 261.73 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(2-phenylprop-2-enyl)aniline is sourced from PubChem (CID 113288100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).