N-(4-chloro-3-fluorophenyl)-2-[1-(methylamino)cyclohexyl]acetamide

C15H20ClFN2O — CID 65242628

IUPACN-(4-chloro-3-fluorophenyl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)Nc2ccc(Cl)c(F)c2)CCCCC1
InChIInChI=1S/C15H20ClFN2O/c1-18-15(7-3-2-4-8-15)10-14(20)19-11-5-6-12(16)13(17)9-11/h5-6,9,18H,2-4,7-8,10H2,1H3,(H,19,20)
InChIKeyLXZVRJJIAANOSQ-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.73
Rot. Bonds4

About N-(4-chloro-3-fluorophenyl)-2-[1-(methylamino)cyclohexyl]acetamide

N-(4-chloro-3-fluorophenyl)-2-[1-(methylamino)cyclohexyl]acetamide (PubChem CID 65242628) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is N-(4-chloro-3-fluorophenyl)-2-[1-(methylamino)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-3-fluorophenyl)-2-[1-(methylamino)cyclohexyl]acetamide
PubChem CID65242628
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC NameN-(4-chloro-3-fluorophenyl)-2-[1-(methylamino)cyclohexyl]acetamide
SMILESCNC1(CC(=O)Nc2ccc(Cl)c(F)c2)CCCCC1
InChIInChI=1S/C15H20ClFN2O/c1-18-15(7-3-2-4-8-15)10-14(20)19-11-5-6-12(16)13(17)9-11/h5-6,9,18H,2-4,7-8,10H2,1H3,(H,19,20)
InChIKeyLXZVRJJIAANOSQ-UHFFFAOYSA-N
XLogP3.73
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240524
N-(3,4-dimethylphenyl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240820
N-(1-benzothiophen-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65242293
2-[1-(methylamino)cyclohexyl]-N-(3-methylphenyl)acetamide
CID 65240773
N-(1,3-benzodioxol-5-yl)-2-[1-(methylamino)cyclohexyl]acetamide
CID 65240483
1-[(4-chloro-3-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61468561
1-(aminomethyl)-N-(4-chloro-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119708329
N-(4-chloro-3-fluorophenyl)-2-methoxyacetamide
CID 60776246
N-(4-chloro-3-fluorophenyl)acetamide
CID 60776248
1-[[(4-chloro-3-fluorophenyl)carbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434138
N-(4-chloro-3-fluorophenyl)-3-sulfanylpropanamide
CID 107025056
1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide
CID 81179055

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-fluorophenyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The IUPAC name of N-(4-chloro-3-fluorophenyl)-2-[1-(methylamino)cyclohexyl]acetamide (CID 65242628) is N-(4-chloro-3-fluorophenyl)-2-[1-(methylamino)cyclohexyl]acetamide.
What is the SMILES notation for N-(4-chloro-3-fluorophenyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The canonical SMILES for N-(4-chloro-3-fluorophenyl)-2-[1-(methylamino)cyclohexyl]acetamide is CNC1(CC(=O)Nc2ccc(Cl)c(F)c2)CCCCC1.
What is the InChIKey of N-(4-chloro-3-fluorophenyl)-2-[1-(methylamino)cyclohexyl]acetamide?
The InChIKey is LXZVRJJIAANOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c1-18-15(7-3-2-4-8-15)10-14(20)19-11-5-6-12(16)13(17)9-11/h5-6,9,18H,2-4,7-8,10H2,1H3,(H,19,20).
What are the key properties of N-(4-chloro-3-fluorophenyl)-2-[1-(methylamino)cyclohexyl]acetamide?
N-(4-chloro-3-fluorophenyl)-2-[1-(methylamino)cyclohexyl]acetamide has a molecular weight of 298.79 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-fluorophenyl)-2-[1-(methylamino)cyclohexyl]acetamide is sourced from PubChem (CID 65242628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).