N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide

C15H20ClFN2O — CID 104974489

IUPACN-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1c(F)cccc1Cl)C1CCCNCC1
InChIInChI=1S/C15H20ClFN2O/c1-19(11-4-3-8-18-9-7-11)15(20)10-12-13(16)5-2-6-14(12)17/h2,5-6,11,18H,3-4,7-10H2,1H3
InChIKeyYSKILWRCQWLTBO-UHFFFAOYSA-N
MW298.79 g/mol
LogP2.62
Rot. Bonds3

About N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide

N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide (PubChem CID 104974489) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide
PubChem CID104974489
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC NameN-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide
SMILESCN(C(=O)Cc1c(F)cccc1Cl)C1CCCNCC1
InChIInChI=1S/C15H20ClFN2O/c1-19(11-4-3-8-18-9-7-11)15(20)10-12-13(16)5-2-6-14(12)17/h2,5-6,11,18H,3-4,7-10H2,1H3
InChIKeyYSKILWRCQWLTBO-UHFFFAOYSA-N
XLogP2.62
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-6-fluorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 43602048
2-(2,6-dichlorophenyl)-N-methyl-N-piperidin-4-ylacetamide
CID 119444226
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-(piperidin-4-ylmethyl)acetamide
CID 79698350
2-(2-chloro-6-fluorophenyl)-N-cyclopropyl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 104974055
N-(azepan-4-yl)-2-chloro-N-methylbenzamide
CID 104974708
2-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-cyclohexyl-N-methylacetamide
CID 78852410
N-[(2-chloro-6-fluorophenyl)methyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119267724
N-[(2-chloro-6-fluorophenyl)methyl]-N-methyl-2-piperidin-4-ylacetamide;hydrochloride
CID 119682888
3-(2,3-difluorophenyl)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119441407
2-(2-chloro-6-fluorophenyl)-N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)acetamide
CID 106609545
2-[(2-chloro-6-fluorophenyl)methyl-piperidin-4-ylamino]acetamide
CID 60801937
N-(azepan-4-yl)-2-fluoro-6-methoxy-N-methylbenzamide
CID 107172410

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide?
The IUPAC name of N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide (CID 104974489) is N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide?
The canonical SMILES for N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide is CN(C(=O)Cc1c(F)cccc1Cl)C1CCCNCC1.
What is the InChIKey of N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide?
The InChIKey is YSKILWRCQWLTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-19(11-4-3-8-18-9-7-11)15(20)10-12-13(16)5-2-6-14(12)17/h2,5-6,11,18H,3-4,7-10H2,1H3.
What are the key properties of N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide?
N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide has a molecular weight of 298.79 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-2-(2-chloro-6-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 104974489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).