[3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone

C15H20F2N2O — CID 63626543

IUPAC[3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone
SMILESCNc1c(F)cc(C(=O)N2CCCC(C)CC2)cc1F
InChIInChI=1S/C15H20F2N2O/c1-10-4-3-6-19(7-5-10)15(20)11-8-12(16)14(18-2)13(17)9-11/h8-10,18H,3-7H2,1-2H3
InChIKeySDDAISGEFDOYMQ-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.27
Rot. Bonds2

About [3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone

[3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone (PubChem CID 63626543) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is [3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone.

Molecular Properties

Compound Name[3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone
PubChem CID63626543
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name[3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone
SMILESCNc1c(F)cc(C(=O)N2CCCC(C)CC2)cc1F
InChIInChI=1S/C15H20F2N2O/c1-10-4-3-6-19(7-5-10)15(20)11-8-12(16)14(18-2)13(17)9-11/h8-10,18H,3-7H2,1-2H3
InChIKeySDDAISGEFDOYMQ-UHFFFAOYSA-N
XLogP3.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-amino-3,5-difluorophenyl)-(4-methylpiperidin-1-yl)methanone
CID 55160201
[3,5-difluoro-4-(methylamino)phenyl]-thiomorpholin-4-ylmethanone
CID 63187323
N-[3-acetamido-5-[(4R)-4-methylazepane-1-carbonyl]phenyl]acetamide
CID 95040869
[3,5-difluoro-4-(methylamino)phenyl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 104960474
(3-bromo-4,5-difluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 172646628
2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl-[3,5-difluoro-4-(methylamino)phenyl]methanone
CID 65324906
[3,5-difluoro-4-(methylamino)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64583162
(3-bromo-5-fluoro-4-methylphenyl)-(4-methylpiperidin-1-yl)methanone
CID 176513313
[3,5-difluoro-4-(methylamino)phenyl]-(2-ethylpiperidin-1-yl)methanone
CID 63187071
[4-(4-methylpiperidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 109044208
[4-(3,5-difluoro-4-methoxyphenyl)phenyl]-[(4S)-4-methylazepan-1-yl]methanone
CID 126442579
(4-amino-3,5-difluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 63185506

Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone?
The IUPAC name of [3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone (CID 63626543) is [3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone.
What is the SMILES notation for [3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone?
The canonical SMILES for [3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone is CNc1c(F)cc(C(=O)N2CCCC(C)CC2)cc1F.
What is the InChIKey of [3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone?
The InChIKey is SDDAISGEFDOYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-10-4-3-6-19(7-5-10)15(20)11-8-12(16)14(18-2)13(17)9-11/h8-10,18H,3-7H2,1-2H3.
What are the key properties of [3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone?
[3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone has a molecular weight of 282.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-(methylamino)phenyl]-(4-methylazepan-1-yl)methanone is sourced from PubChem (CID 63626543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).