(2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone

C17H24FNO — CID 81481697

IUPAC(2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCCC(C(C)C)CC2)c1F
InChIInChI=1S/C17H24FNO/c1-12(2)14-7-5-10-19(11-9-14)17(20)15-8-4-6-13(3)16(15)18/h4,6,8,12,14H,5,7,9-11H2,1-3H3
InChIKeyHUOGMJOCGTZIMI-UHFFFAOYSA-N
MW277.38 g/mol
LogP4.03
Rot. Bonds2

About (2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone

(2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone (PubChem CID 81481697) has the molecular formula C17H24FNO and a molecular weight of 277.38 g/mol. Its IUPAC name is (2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone.

Molecular Properties

Compound Name(2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone
PubChem CID81481697
Molecular FormulaC17H24FNO
Molecular Weight277.38 g/mol
Exact Mass277.18
IUPAC Name(2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone
SMILESCc1cccc(C(=O)N2CCCC(C(C)C)CC2)c1F
InChIInChI=1S/C17H24FNO/c1-12(2)14-7-5-10-19(11-9-14)17(20)15-8-4-6-13(3)16(15)18/h4,6,8,12,14H,5,7,9-11H2,1-3H3
InChIKeyHUOGMJOCGTZIMI-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.38
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-fluoro-3-methylbenzoyl)piperidine-4-carbothioamide
CID 81477321
2-[2-(4-propan-2-ylazepane-1-carbonyl)phenyl]sulfanylpropanoic acid
CID 119185429
(4,4-dimethylazepan-1-yl)-(2-fluoro-3-methylphenyl)methanone
CID 80711269
[4-(ethylaminomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81477977
(2-fluoro-3-methylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 81481180
(2-fluoro-3-methylphenyl)-(4-methyl-1,4-diazepan-1-yl)methanone
CID 80717951
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(2-fluoro-3-methylphenyl)methanone
CID 80718141
methyl 1-(2-fluoro-3-methylbenzoyl)piperidine-4-carboxylate
CID 80719245
[3-(bromomethyl)piperidin-1-yl]-(2-fluoro-3-methylphenyl)methanone
CID 81479115
(2-fluoro-3-methylphenyl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103765514
(2-chlorophenyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 21025470
ethyl 4-(2-fluoro-3-methylbenzoyl)piperazine-1-carboxylate
CID 80710422

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone?
The IUPAC name of (2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone (CID 81481697) is (2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone.
What is the SMILES notation for (2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone?
The canonical SMILES for (2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone is Cc1cccc(C(=O)N2CCCC(C(C)C)CC2)c1F.
What is the InChIKey of (2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone?
The InChIKey is HUOGMJOCGTZIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FNO/c1-12(2)14-7-5-10-19(11-9-14)17(20)15-8-4-6-13(3)16(15)18/h4,6,8,12,14H,5,7,9-11H2,1-3H3.
What are the key properties of (2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone?
(2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone has a molecular weight of 277.38 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-3-methylphenyl)-(4-propan-2-ylazepan-1-yl)methanone is sourced from PubChem (CID 81481697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).