2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide

C13H16ClF3N2O — CID 60852209

IUPAC2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide
SMILESCCCCC(N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2O/c1-2-3-4-11(18)12(20)19-8-5-6-10(14)9(7-8)13(15,16)17/h5-7,11H,2-4,18H2,1H3,(H,19,20)
InChIKeyLFHACDHKYOWKBD-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.81
Rot. Bonds5

About 2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide

2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide (PubChem CID 60852209) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide.

Molecular Properties

Compound Name2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide
PubChem CID60852209
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide
SMILESCCCCC(N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2O/c1-2-3-4-11(18)12(20)19-8-5-6-10(14)9(7-8)13(15,16)17/h5-7,11H,2-4,18H2,1H3,(H,19,20)
InChIKeyLFHACDHKYOWKBD-UHFFFAOYSA-N
XLogP3.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-amino-N-(3-chloro-4-methylphenyl)hexanamide
CID 113304721
(2S)-2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]propanamide;hydrochloride
CID 119263846
5-(2-aminohexanoylamino)-2-chloro-N-methylbenzamide
CID 60928001
N-butyl-2-(2-chloroethyl)-N'-[4-chloro-3-(trifluoromethyl)phenyl]propanediamide
CID 126612619
(2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide
CID 107143843
3-[4-chloro-3-(trifluoromethyl)phenyl]-1-methyl-1-pentylurea
CID 4582767
(2S)-2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]hexanamide
CID 103830934
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-hydroxypropanamide
CID 82134049
(2S)-2-amino-N-(3-chloro-4-propoxyphenyl)hexanamide
CID 103831329
(2S)-2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide
CID 107145713
2-amino-N-(3-fluoro-4-hydroxyphenyl)hexanamide
CID 64782247
(2S)-2-amino-N-(3-fluoro-4-methylphenyl)hexanamide
CID 103830895

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide?
The IUPAC name of 2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide (CID 60852209) is 2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide.
What is the SMILES notation for 2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide?
The canonical SMILES for 2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide is CCCCC(N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide?
The InChIKey is LFHACDHKYOWKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c1-2-3-4-11(18)12(20)19-8-5-6-10(14)9(7-8)13(15,16)17/h5-7,11H,2-4,18H2,1H3,(H,19,20).
What are the key properties of 2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide?
2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide has a molecular weight of 308.73 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-chloro-3-(trifluoromethyl)phenyl]hexanamide is sourced from PubChem (CID 60852209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).