(Z)-3-(3-chloro-2-fluoroanilino)-1,3-diphenylprop-2-en-1-one

C21H15ClFNO — CID 53384954

IUPAC(Z)-3-(3-chloro-2-fluoroanilino)-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C=C(\Nc1cccc(Cl)c1F)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15ClFNO/c22-17-12-7-13-18(21(17)23)24-19(15-8-3-1-4-9-15)14-20(25)16-10-5-2-6-11-16/h1-14,24H/b19-14-
InChIKeyZRKJTHURXOQUGT-RGEXLXHISA-N
MW351.81 g/mol
LogP5.82
Rot. Bonds5

About (Z)-3-(3-chloro-2-fluoroanilino)-1,3-diphenylprop-2-en-1-one

(Z)-3-(3-chloro-2-fluoroanilino)-1,3-diphenylprop-2-en-1-one (PubChem CID 53384954) has the molecular formula C21H15ClFNO and a molecular weight of 351.81 g/mol. Its IUPAC name is (Z)-3-(3-chloro-2-fluoroanilino)-1,3-diphenylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-3-(3-chloro-2-fluoroanilino)-1,3-diphenylprop-2-en-1-one
PubChem CID53384954
Molecular FormulaC21H15ClFNO
Molecular Weight351.81 g/mol
Exact Mass351.08
IUPAC Name(Z)-3-(3-chloro-2-fluoroanilino)-1,3-diphenylprop-2-en-1-one
SMILESO=C(/C=C(\Nc1cccc(Cl)c1F)c1ccccc1)c1ccccc1
InChIInChI=1S/C21H15ClFNO/c22-17-12-7-13-18(21(17)23)24-19(15-8-3-1-4-9-15)14-20(25)16-10-5-2-6-11-16/h1-14,24H/b19-14-
InChIKeyZRKJTHURXOQUGT-RGEXLXHISA-N
XLogP5.82
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.81
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[3-(4-chlorophenyl)-3-oxo-1-phenylprop-1-enyl]amino]phenyl]acetamide
CID 175155233
(E)-3-(2-bromoanilino)-1,3-diphenylprop-2-en-1-one
CID 15112394
(3-chloro-2-fluorophenyl)urea
CID 28969166
(E)-1-(3-fluorophenyl)-3-(2-iodoanilino)-3-phenylprop-2-en-1-one
CID 166437831
(E)-3-(4-chloro-2-iodoanilino)-1,3-diphenylprop-2-en-1-one
CID 166437412
4-[(3-chloro-2-fluorophenyl)carbamoyl]benzoic acid
CID 43452947
5-(3-chloro-2-fluoroanilino)-5-oxopentanoic acid
CID 43396608
(Z)-3-[4-chloro-2-[(E)-2-phenylethenyl]anilino]-1,3-diphenylprop-2-en-1-one
CID 135072365
2-amino-N-(3-chloro-2-fluorophenyl)-2-phenylacetamide
CID 43123024
2-[(3-chloro-2-fluorophenyl)carbamoyl-methylamino]acetic acid
CID 43135927
1-(3-chloro-2-fluorophenyl)-3-(2-hydroxy-2-phenylpropyl)urea
CID 111335599
3-chloro-N-(3-chloro-2-fluorophenyl)propanamide
CID 28830698

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-chloro-2-fluoroanilino)-1,3-diphenylprop-2-en-1-one?
The IUPAC name of (Z)-3-(3-chloro-2-fluoroanilino)-1,3-diphenylprop-2-en-1-one (CID 53384954) is (Z)-3-(3-chloro-2-fluoroanilino)-1,3-diphenylprop-2-en-1-one.
What is the SMILES notation for (Z)-3-(3-chloro-2-fluoroanilino)-1,3-diphenylprop-2-en-1-one?
The canonical SMILES for (Z)-3-(3-chloro-2-fluoroanilino)-1,3-diphenylprop-2-en-1-one is O=C(/C=C(\Nc1cccc(Cl)c1F)c1ccccc1)c1ccccc1.
What is the InChIKey of (Z)-3-(3-chloro-2-fluoroanilino)-1,3-diphenylprop-2-en-1-one?
The InChIKey is ZRKJTHURXOQUGT-RGEXLXHISA-N. The full InChI is InChI=1S/C21H15ClFNO/c22-17-12-7-13-18(21(17)23)24-19(15-8-3-1-4-9-15)14-20(25)16-10-5-2-6-11-16/h1-14,24H/b19-14-.
What are the key properties of (Z)-3-(3-chloro-2-fluoroanilino)-1,3-diphenylprop-2-en-1-one?
(Z)-3-(3-chloro-2-fluoroanilino)-1,3-diphenylprop-2-en-1-one has a molecular weight of 351.81 g/mol, XLogP of 5.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-chloro-2-fluoroanilino)-1,3-diphenylprop-2-en-1-one is sourced from PubChem (CID 53384954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).