6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one

C15H18ClFN2O — CID 114488949

IUPAC6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one
SMILESNC1CCCC(=O)N(C2CC2)C1c1cccc(Cl)c1F
InChIInChI=1S/C15H18ClFN2O/c16-11-4-1-3-10(14(11)17)15-12(18)5-2-6-13(20)19(15)9-7-8-9/h1,3-4,9,12,15H,2,5-8,18H2
InChIKeySJCDLRJLKAZMGJ-UHFFFAOYSA-N
MW296.77 g/mol
LogP3.02
Rot. Bonds2

About 6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one

6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one (PubChem CID 114488949) has the molecular formula C15H18ClFN2O and a molecular weight of 296.77 g/mol. Its IUPAC name is 6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one.

Molecular Properties

Compound Name6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one
PubChem CID114488949
Molecular FormulaC15H18ClFN2O
Molecular Weight296.77 g/mol
Exact Mass296.11
IUPAC Name6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one
SMILESNC1CCCC(=O)N(C2CC2)C1c1cccc(Cl)c1F
InChIInChI=1S/C15H18ClFN2O/c16-11-4-1-3-10(14(11)17)15-12(18)5-2-6-13(20)19(15)9-7-8-9/h1,3-4,9,12,15H,2,5-8,18H2
InChIKeySJCDLRJLKAZMGJ-UHFFFAOYSA-N
XLogP3.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.77
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-chloro-2-fluorophenyl)-4-cyclopropyl-5-oxomorpholine-2-carboxylic acid
CID 114488877
6-amino-7-(3-chloro-4-methoxyphenyl)-1-cyclopropylazepan-2-one
CID 65021981
[2-(3-chloro-2-fluorophenyl)-1-cyclopropylpiperidin-3-yl]methanamine
CID 114488890
2-(3-chloro-2-fluorophenyl)-1-(2-methoxyethyl)azepan-3-amine
CID 114488972
2-(3-chloro-2-fluorophenyl)-1-propylpyrrolidin-3-amine
CID 114488962
6-amino-7-(4-bromo-3-methylphenyl)-1-cyclopropylazepan-2-one
CID 66480106
6-amino-7-(2-chloro-6-methoxyphenyl)-1-methylazepan-2-one
CID 104818738
5-amino-6-(3-chloro-5-fluorophenyl)-1-cyclopropylpiperidin-2-one
CID 114454794
2-(2-chloro-6-fluorophenyl)-1-cyclopropyl-6-oxopiperidine-3-carboxylic acid
CID 63379163
3-(3-chloro-2-fluorophenyl)-1-(cyclopropylmethyl)pyrrolidin-2-amine
CID 144941855
(2R,3R)-2-(2-chlorophenyl)-1-cyclohexyl-6-oxopiperidine-3-carboxylic acid
CID 6928851
1-chloro-3-(4-cyclohexylcyclohexyl)-2-fluorobenzene
CID 126546202

Frequently Asked Questions

What is the IUPAC name of 6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one?
The IUPAC name of 6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one (CID 114488949) is 6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one.
What is the SMILES notation for 6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one?
The canonical SMILES for 6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one is NC1CCCC(=O)N(C2CC2)C1c1cccc(Cl)c1F.
What is the InChIKey of 6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one?
The InChIKey is SJCDLRJLKAZMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O/c16-11-4-1-3-10(14(11)17)15-12(18)5-2-6-13(20)19(15)9-7-8-9/h1,3-4,9,12,15H,2,5-8,18H2.
What are the key properties of 6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one?
6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one has a molecular weight of 296.77 g/mol, XLogP of 3.02, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-7-(3-chloro-2-fluorophenyl)-1-cyclopropylazepan-2-one is sourced from PubChem (CID 114488949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).