7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one

C15H21ClFNO — CID 116578233

IUPAC7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one
SMILESCCC(CCN)CCC(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H21ClFNO/c1-2-11(7-8-18)3-6-14(19)9-12-4-5-13(17)10-15(12)16/h4-5,10-11H,2-3,6-9,18H2,1H3
InChIKeyCAMVJPQZKAXSHH-UHFFFAOYSA-N
MW285.79 g/mol
LogP3.75
Rot. Bonds8

About 7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one

7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one (PubChem CID 116578233) has the molecular formula C15H21ClFNO and a molecular weight of 285.79 g/mol. Its IUPAC name is 7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one.

Molecular Properties

Compound Name7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one
PubChem CID116578233
Molecular FormulaC15H21ClFNO
Molecular Weight285.79 g/mol
Exact Mass285.13
IUPAC Name7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one
SMILESCCC(CCN)CCC(=O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H21ClFNO/c1-2-11(7-8-18)3-6-14(19)9-12-4-5-13(17)10-15(12)16/h4-5,10-11H,2-3,6-9,18H2,1H3
InChIKeyCAMVJPQZKAXSHH-UHFFFAOYSA-N
XLogP3.75
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.79
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-amino-1-(2-chloro-6-fluorophenyl)-5-ethylheptan-2-one
CID 116578115
5-(2-aminoethyl)-1-(2-bromo-4-fluorophenyl)octan-2-one
CID 116582799
5-(2-aminoethyl)-1-(2-chlorophenyl)octan-2-one
CID 116582920
5-amino-1-(2,4-dichlorophenyl)hexan-2-one
CID 116571543
1-(2-chloro-4-fluorophenyl)-5,5-dimethylhexan-2-one
CID 63034237
1-(2-chloro-4-fluorophenyl)-5-hydroxypentan-2-one
CID 106677431
6-amino-1-(2,4-dichlorophenyl)-5-methylhexan-2-one
CID 116607435
7-amino-1-(4-bromo-2-chlorophenyl)-5-methylheptan-2-one
CID 116581614
3-(aminomethyl)-1-(2-chloro-4-fluorophenyl)hexan-2-one
CID 116574566
1-(2-chloro-4-fluorophenyl)-4-(ethylamino)pentan-2-one
CID 116566762
5-(2-aminoethyl)-1-(2-chloro-3-fluorophenyl)octan-2-one
CID 116582948
1-(2-chloro-4-fluorophenyl)-3-methylpentan-2-one
CID 63717028

Frequently Asked Questions

What is the IUPAC name of 7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one?
The IUPAC name of 7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one (CID 116578233) is 7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one.
What is the SMILES notation for 7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one?
The canonical SMILES for 7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one is CCC(CCN)CCC(=O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one?
The InChIKey is CAMVJPQZKAXSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClFNO/c1-2-11(7-8-18)3-6-14(19)9-12-4-5-13(17)10-15(12)16/h4-5,10-11H,2-3,6-9,18H2,1H3.
What are the key properties of 7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one?
7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one has a molecular weight of 285.79 g/mol, XLogP of 3.75, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-(2-chloro-4-fluorophenyl)-5-ethylheptan-2-one is sourced from PubChem (CID 116578233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).