(4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone

C14H17FINO — CID 113236236

IUPAC(4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone
SMILESCC1CCCCCN1C(=O)c1ccc(F)cc1I
InChIInChI=1S/C14H17FINO/c1-10-5-3-2-4-8-17(10)14(18)12-7-6-11(15)9-13(12)16/h6-7,9-10H,2-5,8H2,1H3
InChIKeyNTWRVHDLQLYYBT-UHFFFAOYSA-N
MW361.20 g/mol
LogP3.84
Rot. Bonds1

About (4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone

(4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone (PubChem CID 113236236) has the molecular formula C14H17FINO and a molecular weight of 361.20 g/mol. Its IUPAC name is (4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone
PubChem CID113236236
Molecular FormulaC14H17FINO
Molecular Weight361.20 g/mol
Exact Mass361.03
IUPAC Name(4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone
SMILESCC1CCCCCN1C(=O)c1ccc(F)cc1I
InChIInChI=1S/C14H17FINO/c1-10-5-3-2-4-8-17(10)14(18)12-7-6-11(15)9-13(12)16/h6-7,9-10H,2-5,8H2,1H3
InChIKeyNTWRVHDLQLYYBT-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.20
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2,4-difluorophenyl)-[(2R)-2-methylpiperidin-1-yl]methanone
CID 2347956
[2-(aminomethyl)piperidin-1-yl]-(4-fluoro-2-iodophenyl)methanone
CID 113265487
(4-fluoro-2-iodophenyl)-piperidin-1-ylmethanone
CID 103615017
1-(4-fluoro-2-iodobenzoyl)pyrrolidine-2-carbonitrile
CID 114029268
(4-fluoro-2-iodophenyl)-(3-methylazetidin-1-yl)methanone
CID 172646487
(2,5-dimethylpiperazin-1-yl)-(4-fluoro-2-iodophenyl)methanone
CID 113363045
(2,3-dimethylpiperazin-1-yl)-(4-fluoro-2-iodophenyl)methanone
CID 120569604
1-(4-fluoro-2-iodobenzoyl)piperidine-3-carboxamide
CID 103617048
(2,3-difluoro-5-methylphenyl)-(2-methylpiperidin-1-yl)methanone
CID 593303
4-fluoro-2-iodo-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 47040952
(2-methylpyrrolidin-1-yl)-(2,3,4-trifluorophenyl)methanone
CID 110728179
(4-chloro-2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43176497

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone?
The IUPAC name of (4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone (CID 113236236) is (4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone.
What is the SMILES notation for (4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone?
The canonical SMILES for (4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone is CC1CCCCCN1C(=O)c1ccc(F)cc1I.
What is the InChIKey of (4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone?
The InChIKey is NTWRVHDLQLYYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FINO/c1-10-5-3-2-4-8-17(10)14(18)12-7-6-11(15)9-13(12)16/h6-7,9-10H,2-5,8H2,1H3.
What are the key properties of (4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone?
(4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone has a molecular weight of 361.20 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-iodophenyl)-(2-methylazepan-1-yl)methanone is sourced from PubChem (CID 113236236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).