2-(azepan-1-yl)-N-(2,4,6-trichlorophenyl)acetamide

C14H17Cl3N2O — CID 972797

IUPAC2-(azepan-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
SMILESO=C(CN1CCCCCC1)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl3N2O/c15-10-7-11(16)14(12(17)8-10)18-13(20)9-19-5-3-1-2-4-6-19/h7-8H,1-6,9H2,(H,18,20)
InChIKeyOPMXNDCMXPYIIS-UHFFFAOYSA-N
MW335.66 g/mol
LogP4.46
Rot. Bonds3

About 2-(azepan-1-yl)-N-(2,4,6-trichlorophenyl)acetamide

2-(azepan-1-yl)-N-(2,4,6-trichlorophenyl)acetamide (PubChem CID 972797) has the molecular formula C14H17Cl3N2O and a molecular weight of 335.66 g/mol. Its IUPAC name is 2-(azepan-1-yl)-N-(2,4,6-trichlorophenyl)acetamide.

Molecular Properties

Compound Name2-(azepan-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
PubChem CID972797
Molecular FormulaC14H17Cl3N2O
Molecular Weight335.66 g/mol
Exact Mass334.04
IUPAC Name2-(azepan-1-yl)-N-(2,4,6-trichlorophenyl)acetamide
SMILESO=C(CN1CCCCCC1)Nc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl3N2O/c15-10-7-11(16)14(12(17)8-10)18-13(20)9-19-5-3-1-2-4-6-19/h7-8H,1-6,9H2,(H,18,20)
InChIKeyOPMXNDCMXPYIIS-UHFFFAOYSA-N
XLogP4.46
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.66
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Acetamide, N-(2,4,6-trichlorophenyl)-
CID 95872
Acetanilide, 2-morpholino-2',4',6'-trichloro-
CID 49949
Clodacaine
CID 58616
N(O-Clph)-3-N'-piperidinoacetamide
CID 779151
N-(4-Chloro-phenyl)-2-(cyclohexyl-methyl-amino)-acetamide
CID 788650
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-phenylacetamide
CID 2115027
2-(azepan-1-yl)-N-(4-chloro-2-fluorophenyl)acetamide
CID 4879550
N-(2-chlorophenyl)-2-(1-pyrrolidinyl)acetamide
CID 2212919
1-(3,4-Dichlorophenyl)-1,4-diazepan-2-one;hydrochloride
CID 118708361
N-(2-chlorophenyl)-2-(4-phenylpiperazin-1-yl)acetamide
CID 600179
Acetamide, 2-(p-chloroanilino)-N,N-dimethyl-
CID 56147
N-(2,4-dichlorophenyl)-2-(4-methyl-1-piperazinyl)acetamide
CID 1250898

Frequently Asked Questions

What is the IUPAC name of 2-(azepan-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The IUPAC name of 2-(azepan-1-yl)-N-(2,4,6-trichlorophenyl)acetamide (CID 972797) is 2-(azepan-1-yl)-N-(2,4,6-trichlorophenyl)acetamide.
What is the SMILES notation for 2-(azepan-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The canonical SMILES for 2-(azepan-1-yl)-N-(2,4,6-trichlorophenyl)acetamide is O=C(CN1CCCCCC1)Nc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2-(azepan-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
The InChIKey is OPMXNDCMXPYIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl3N2O/c15-10-7-11(16)14(12(17)8-10)18-13(20)9-19-5-3-1-2-4-6-19/h7-8H,1-6,9H2,(H,18,20).
What are the key properties of 2-(azepan-1-yl)-N-(2,4,6-trichlorophenyl)acetamide?
2-(azepan-1-yl)-N-(2,4,6-trichlorophenyl)acetamide has a molecular weight of 335.66 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azepan-1-yl)-N-(2,4,6-trichlorophenyl)acetamide is sourced from PubChem (CID 972797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).