2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide

C16H22Cl2N2O — CID 104727167

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide
SMILESCc1cc(Cl)c(NC(=O)CC2(CN)CCCCC2)cc1Cl
InChIInChI=1S/C16H22Cl2N2O/c1-11-7-13(18)14(8-12(11)17)20-15(21)9-16(10-19)5-3-2-4-6-16/h7-8H,2-6,9-10,19H2,1H3,(H,20,21)
InChIKeyFGMXGBRSKXETLY-UHFFFAOYSA-N
MW329.27 g/mol
LogP4.54
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide (PubChem CID 104727167) has the molecular formula C16H22Cl2N2O and a molecular weight of 329.27 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide
PubChem CID104727167
Molecular FormulaC16H22Cl2N2O
Molecular Weight329.27 g/mol
Exact Mass328.11
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide
SMILESCc1cc(Cl)c(NC(=O)CC2(CN)CCCCC2)cc1Cl
InChIInChI=1S/C16H22Cl2N2O/c1-11-7-13(18)14(8-12(11)17)20-15(21)9-16(10-19)5-3-2-4-6-16/h7-8H,2-6,9-10,19H2,1H3,(H,20,21)
InChIKeyFGMXGBRSKXETLY-UHFFFAOYSA-N
XLogP4.54
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.27
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dichloro-4-methylphenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107034934
2-[1-(aminomethyl)cyclohexyl]-N-(4-hydroxy-2,5-dimethylphenyl)acetamide
CID 106954350
2-[1-(aminomethyl)cyclohexyl]-N-(2-chlorophenyl)acetamide
CID 104677439
2-[1-(aminomethyl)cyclobutyl]-N-(5-chloro-2-methylphenyl)acetamide
CID 81178920
2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-3-pyridinyl)acetamide
CID 104678205
2-[1-(aminomethyl)cyclohexyl]-N-(3-fluoro-4-methylphenyl)acetamide
CID 104677454
2-[1-(aminomethyl)cyclohexyl]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 104677385
2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 64685123
N-(2,5-dichloro-4-methylphenyl)acetamide
CID 112703957
(3Z)-3-amino-N-(2,5-dichloro-4-methylphenyl)-3-hydroxyiminopropanamide
CID 104727903
2-[1-(aminomethyl)cyclohexyl]-N-(4-methyl-2-pyridinyl)acetamide
CID 104677502
2-[1-(aminomethyl)cyclobutyl]-N-(4-ethoxy-2-methylphenyl)acetamide
CID 81172405

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide (CID 104727167) is 2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide is Cc1cc(Cl)c(NC(=O)CC2(CN)CCCCC2)cc1Cl.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide?
The InChIKey is FGMXGBRSKXETLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O/c1-11-7-13(18)14(8-12(11)17)20-15(21)9-16(10-19)5-3-2-4-6-16/h7-8H,2-6,9-10,19H2,1H3,(H,20,21).
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide has a molecular weight of 329.27 g/mol, XLogP of 4.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-(2,5-dichloro-4-methylphenyl)acetamide is sourced from PubChem (CID 104727167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).