1-(4-chlorophenyl)-3-(4-ethylanilino)propan-1-one

C17H18ClNO — CID 2060430

IUPAC1-(4-chlorophenyl)-3-(4-ethylanilino)propan-1-one
SMILESCCc1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO/c1-2-13-3-9-16(10-4-13)19-12-11-17(20)14-5-7-15(18)8-6-14/h3-10,19H,2,11-12H2,1H3
InChIKeyWEQSKGVQKRPOPD-UHFFFAOYSA-N
MW287.79 g/mol
LogP4.59
Rot. Bonds6

About 1-(4-chlorophenyl)-3-(4-ethylanilino)propan-1-one

1-(4-chlorophenyl)-3-(4-ethylanilino)propan-1-one (PubChem CID 2060430) has the molecular formula C17H18ClNO and a molecular weight of 287.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(4-ethylanilino)propan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(4-ethylanilino)propan-1-one
PubChem CID2060430
Molecular FormulaC17H18ClNO
Molecular Weight287.79 g/mol
Exact Mass287.11
IUPAC Name1-(4-chlorophenyl)-3-(4-ethylanilino)propan-1-one
SMILESCCc1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H18ClNO/c1-2-13-3-9-16(10-4-13)19-12-11-17(20)14-5-7-15(18)8-6-14/h3-10,19H,2,11-12H2,1H3
InChIKeyWEQSKGVQKRPOPD-UHFFFAOYSA-N
XLogP4.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.79
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(4-ethylanilino)propan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-3-(4-ethylanilino)propan-1-one (CID 2060430) is 1-(4-chlorophenyl)-3-(4-ethylanilino)propan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(4-ethylanilino)propan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-(4-ethylanilino)propan-1-one is CCc1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(4-ethylanilino)propan-1-one?
The InChIKey is WEQSKGVQKRPOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO/c1-2-13-3-9-16(10-4-13)19-12-11-17(20)14-5-7-15(18)8-6-14/h3-10,19H,2,11-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-3-(4-ethylanilino)propan-1-one?
1-(4-chlorophenyl)-3-(4-ethylanilino)propan-1-one has a molecular weight of 287.79 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-(4-ethylanilino)propan-1-one is sourced from PubChem (CID 2060430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).