2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide

C12H14ClF3N2O — CID 65225587

IUPAC2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide
SMILESCCC(CN)C(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H14ClF3N2O/c1-2-7(6-17)11(19)18-10-8(12(14,15)16)4-3-5-9(10)13/h3-5,7H,2,6,17H2,1H3,(H,18,19)
InChIKeyKEGYWVCYNUJJDL-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.28
Rot. Bonds4

About 2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide

2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide (PubChem CID 65225587) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide
PubChem CID65225587
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide
SMILESCCC(CN)C(=O)Nc1c(Cl)cccc1C(F)(F)F
InChIInChI=1S/C12H14ClF3N2O/c1-2-7(6-17)11(19)18-10-8(12(14,15)16)4-3-5-9(10)13/h3-5,7H,2,6,17H2,1H3,(H,18,19)
InChIKeyKEGYWVCYNUJJDL-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylbutanamide
CID 80542320
N-[2-chloro-6-(trifluoromethyl)phenyl]propanamide
CID 64591639
2-(aminomethyl)-N-[4-chloro-2-(trifluoromethyl)phenyl]butanamide
CID 65225936
2-(aminomethyl)-N-(2,6-dibromophenyl)butanamide
CID 107599748
ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]butanoate
CID 64668147
2-(aminomethyl)-N-[2-chloro-5-(trifluoromethyl)phenyl]butanamide
CID 65225734
2-amino-N-[2-chloro-6-(trifluoromethyl)phenyl]-2-methylpropanamide
CID 61266948
1-amino-3-[2-chloro-6-(trifluoromethyl)phenyl]urea
CID 43164115
N-[2-chloro-6-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79204589
ethyl 2-[2-chloro-6-(trifluoromethyl)anilino]acetate
CID 28950851
2-(aminomethyl)-N-(3,5-dichloro-4-fluorophenyl)butanamide
CID 107574395
4-[2-chloro-6-(trifluoromethyl)anilino]-4-oxobutanoic acid
CID 43579669

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide (CID 65225587) is 2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide is CCC(CN)C(=O)Nc1c(Cl)cccc1C(F)(F)F.
What is the InChIKey of 2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide?
The InChIKey is KEGYWVCYNUJJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-2-7(6-17)11(19)18-10-8(12(14,15)16)4-3-5-9(10)13/h3-5,7H,2,6,17H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide?
2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide has a molecular weight of 294.70 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-chloro-6-(trifluoromethyl)phenyl]butanamide is sourced from PubChem (CID 65225587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).