2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide

C14H18ClFN2O — CID 107365940

IUPAC2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide
SMILESNC1(CC(=O)Nc2cc(F)cc(Cl)c2)CCCCC1
InChIInChI=1S/C14H18ClFN2O/c15-10-6-11(16)8-12(7-10)18-13(19)9-14(17)4-2-1-3-5-14/h6-8H,1-5,9,17H2,(H,18,19)
InChIKeyXDOJBCHQUOXDEI-UHFFFAOYSA-N
MW284.76 g/mol
LogP3.47
Rot. Bonds3

About 2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide

2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide (PubChem CID 107365940) has the molecular formula C14H18ClFN2O and a molecular weight of 284.76 g/mol. Its IUPAC name is 2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide
PubChem CID107365940
Molecular FormulaC14H18ClFN2O
Molecular Weight284.76 g/mol
Exact Mass284.11
IUPAC Name2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide
SMILESNC1(CC(=O)Nc2cc(F)cc(Cl)c2)CCCCC1
InChIInChI=1S/C14H18ClFN2O/c15-10-6-11(16)8-12(7-10)18-13(19)9-14(17)4-2-1-3-5-14/h6-8H,1-5,9,17H2,(H,18,19)
InChIKeyXDOJBCHQUOXDEI-UHFFFAOYSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.76
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminocyclopentyl)-N-(3-chlorophenyl)acetamide
CID 64685930
2-(1-aminocyclopentyl)-N-(2,5-dichlorophenyl)acetamide
CID 64683722
2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 64685123
2-(1-aminocyclobutyl)-N-[3,5-dichloro-4-(difluoromethoxy)phenyl]acetamide
CID 79843771
2-(1-aminocyclohexyl)-N-(4-fluoro-2-iodophenyl)acetamide
CID 79766274
5-[[2-(1-aminocyclobutyl)acetyl]amino]benzene-1,3-dicarboxylic acid
CID 79844254
N-(3-chloro-5-fluorophenyl)azepane-1-carboxamide
CID 103774779
2-(1-aminocyclohexyl)-N-(4-propan-2-ylphenyl)acetamide
CID 64684135
2-(1-aminocyclopentyl)-N-(5-chloro-2-pyridinyl)acetamide
CID 64684760
2-(1-aminocyclopentyl)-N-(5-fluoro-2-methylphenyl)acetamide
CID 64683745
2-(1-aminocyclobutyl)-N-(2,4,5-trifluorophenyl)acetamide
CID 79853699
3-[[2-(1-aminocyclohexyl)acetyl]amino]benzamide
CID 64678413

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide?
The IUPAC name of 2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide (CID 107365940) is 2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide.
What is the SMILES notation for 2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide?
The canonical SMILES for 2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide is NC1(CC(=O)Nc2cc(F)cc(Cl)c2)CCCCC1.
What is the InChIKey of 2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide?
The InChIKey is XDOJBCHQUOXDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClFN2O/c15-10-6-11(16)8-12(7-10)18-13(19)9-14(17)4-2-1-3-5-14/h6-8H,1-5,9,17H2,(H,18,19).
What are the key properties of 2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide?
2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide has a molecular weight of 284.76 g/mol, XLogP of 3.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclohexyl)-N-(3-chloro-5-fluorophenyl)acetamide is sourced from PubChem (CID 107365940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).