2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide

C15H20ClFN2O — CID 62537472

IUPAC2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide
SMILESO=C(CNCc1ccc(F)c(Cl)c1)NC1CCCCC1
InChIInChI=1S/C15H20ClFN2O/c16-13-8-11(6-7-14(13)17)9-18-10-15(20)19-12-4-2-1-3-5-12/h6-8,12,18H,1-5,9-10H2,(H,19,20)
InChIKeyVKFYZTZXUNVHHW-UHFFFAOYSA-N
MW298.79 g/mol
LogP3.02
Rot. Bonds5

About 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide

2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide (PubChem CID 62537472) has the molecular formula C15H20ClFN2O and a molecular weight of 298.79 g/mol. Its IUPAC name is 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide
PubChem CID62537472
Molecular FormulaC15H20ClFN2O
Molecular Weight298.79 g/mol
Exact Mass298.12
IUPAC Name2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide
SMILESO=C(CNCc1ccc(F)c(Cl)c1)NC1CCCCC1
InChIInChI=1S/C15H20ClFN2O/c16-13-8-11(6-7-14(13)17)9-18-10-15(20)19-12-4-2-1-3-5-12/h6-8,12,18H,1-5,9-10H2,(H,19,20)
InChIKeyVKFYZTZXUNVHHW-UHFFFAOYSA-N
XLogP3.02
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.79
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4-bromo-3-chlorophenyl)methylamino]-N-cyclopropylacetamide
CID 103581537
2-[(4-chlorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63099718
2-(3-chloro-4-fluorophenyl)sulfanyl-N-cycloheptylacetamide
CID 29479561
2-(benzylamino)-N-cyclohexylacetamide
CID 19163991
N-cyclohexyl-2-[(3-methylphenyl)methylamino]acetamide
CID 60903369
1-[(3-chloro-4-fluorophenyl)methyl]-3-cyclohexyl-2-methylguanidine
CID 110959339
N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 2557208
2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclopropyl-N-methylacetamide
CID 62538780
2-[4-[(3-chloro-4-fluoroanilino)methyl]-2-methoxyphenoxy]-N-cyclohexylacetamide
CID 979525
2-[(3-fluorophenyl)methylamino]-N-(oxan-4-yl)acetamide
CID 63100231
N-cycloheptyl-2-[(2-methoxy-4-pyridinyl)methylamino]acetamide
CID 62989722
N-cyclopropyl-2-[(3,4-dimethylphenyl)methylamino]acetamide
CID 43434265

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide?
The IUPAC name of 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide (CID 62537472) is 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide is O=C(CNCc1ccc(F)c(Cl)c1)NC1CCCCC1.
What is the InChIKey of 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide?
The InChIKey is VKFYZTZXUNVHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClFN2O/c16-13-8-11(6-7-14(13)17)9-18-10-15(20)19-12-4-2-1-3-5-12/h6-8,12,18H,1-5,9-10H2,(H,19,20).
What are the key properties of 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide?
2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide has a molecular weight of 298.79 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-fluorophenyl)methylamino]-N-cyclohexylacetamide is sourced from PubChem (CID 62537472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).