3-(3-chloro-4-methylanilino)-1-(5-methylfuran-2-yl)propan-1-one

C15H16ClNO2 — CID 786881

IUPAC3-(3-chloro-4-methylanilino)-1-(5-methylfuran-2-yl)propan-1-one
SMILESCc1ccc(C(=O)CCNc2ccc(C)c(Cl)c2)o1
InChIInChI=1S/C15H16ClNO2/c1-10-3-5-12(9-13(10)16)17-8-7-14(18)15-6-4-11(2)19-15/h3-6,9,17H,7-8H2,1-2H3
InChIKeyUUAVUAHEJGUABJ-UHFFFAOYSA-N
MW277.75 g/mol
LogP4.23
Rot. Bonds5

About 3-(3-chloro-4-methylanilino)-1-(5-methylfuran-2-yl)propan-1-one

3-(3-chloro-4-methylanilino)-1-(5-methylfuran-2-yl)propan-1-one (PubChem CID 786881) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 3-(3-chloro-4-methylanilino)-1-(5-methylfuran-2-yl)propan-1-one.

Molecular Properties

Compound Name3-(3-chloro-4-methylanilino)-1-(5-methylfuran-2-yl)propan-1-one
PubChem CID786881
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name3-(3-chloro-4-methylanilino)-1-(5-methylfuran-2-yl)propan-1-one
SMILESCc1ccc(C(=O)CCNc2ccc(C)c(Cl)c2)o1
InChIInChI=1S/C15H16ClNO2/c1-10-3-5-12(9-13(10)16)17-8-7-14(18)15-6-4-11(2)19-15/h3-6,9,17H,7-8H2,1-2H3
InChIKeyUUAVUAHEJGUABJ-UHFFFAOYSA-N
XLogP4.23
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methylanilino)-1-(5-methylfuran-2-yl)propan-1-one?
The IUPAC name of 3-(3-chloro-4-methylanilino)-1-(5-methylfuran-2-yl)propan-1-one (CID 786881) is 3-(3-chloro-4-methylanilino)-1-(5-methylfuran-2-yl)propan-1-one.
What is the SMILES notation for 3-(3-chloro-4-methylanilino)-1-(5-methylfuran-2-yl)propan-1-one?
The canonical SMILES for 3-(3-chloro-4-methylanilino)-1-(5-methylfuran-2-yl)propan-1-one is Cc1ccc(C(=O)CCNc2ccc(C)c(Cl)c2)o1.
What is the InChIKey of 3-(3-chloro-4-methylanilino)-1-(5-methylfuran-2-yl)propan-1-one?
The InChIKey is UUAVUAHEJGUABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-10-3-5-12(9-13(10)16)17-8-7-14(18)15-6-4-11(2)19-15/h3-6,9,17H,7-8H2,1-2H3.
What are the key properties of 3-(3-chloro-4-methylanilino)-1-(5-methylfuran-2-yl)propan-1-one?
3-(3-chloro-4-methylanilino)-1-(5-methylfuran-2-yl)propan-1-one has a molecular weight of 277.75 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methylanilino)-1-(5-methylfuran-2-yl)propan-1-one is sourced from PubChem (CID 786881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).