N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclohexylmethylamino)acetamide

C16H20ClF3N2O — CID 2095482

IUPACN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclohexylmethylamino)acetamide
SMILESO=C(CNCC1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H20ClF3N2O/c17-13-7-6-12(16(18,19)20)8-14(13)22-15(23)10-21-9-11-4-2-1-3-5-11/h6-8,11,21H,1-5,9-10H2,(H,22,23)
InChIKeyWMHBCHCQKFJMIX-UHFFFAOYSA-N
MW348.80 g/mol
LogP4.47
Rot. Bonds5

About N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclohexylmethylamino)acetamide

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclohexylmethylamino)acetamide (PubChem CID 2095482) has the molecular formula C16H20ClF3N2O and a molecular weight of 348.80 g/mol. Its IUPAC name is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclohexylmethylamino)acetamide.

Molecular Properties

Compound NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclohexylmethylamino)acetamide
PubChem CID2095482
Molecular FormulaC16H20ClF3N2O
Molecular Weight348.80 g/mol
Exact Mass348.12
IUPAC NameN-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclohexylmethylamino)acetamide
SMILESO=C(CNCC1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C16H20ClF3N2O/c17-13-7-6-12(16(18,19)20)8-14(13)22-15(23)10-21-9-11-4-2-1-3-5-11/h6-8,11,21H,1-5,9-10H2,(H,22,23)
InChIKeyWMHBCHCQKFJMIX-UHFFFAOYSA-N
XLogP4.47
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.80
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclohexylmethylamino)acetamide?
The IUPAC name of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclohexylmethylamino)acetamide (CID 2095482) is N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclohexylmethylamino)acetamide.
What is the SMILES notation for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclohexylmethylamino)acetamide?
The canonical SMILES for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclohexylmethylamino)acetamide is O=C(CNCC1CCCCC1)Nc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclohexylmethylamino)acetamide?
The InChIKey is WMHBCHCQKFJMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF3N2O/c17-13-7-6-12(16(18,19)20)8-14(13)22-15(23)10-21-9-11-4-2-1-3-5-11/h6-8,11,21H,1-5,9-10H2,(H,22,23).
What are the key properties of N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclohexylmethylamino)acetamide?
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclohexylmethylamino)acetamide has a molecular weight of 348.80 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(cyclohexylmethylamino)acetamide is sourced from PubChem (CID 2095482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).