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

C13H16ClF3N2O — CID 43707417

IUPAC2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H16ClF3N2O/c1-7(2)5-10(18)12(20)19-11-4-3-8(6-9(11)14)13(15,16)17/h3-4,6-7,10H,5,18H2,1-2H3,(H,19,20)
InChIKeyVDEHZXGOYQEHNT-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.67
Rot. Bonds4

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

2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide (PubChem CID 43707417) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide
PubChem CID43707417
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide
SMILESCC(C)CC(N)C(=O)Nc1ccc(C(F)(F)F)cc1Cl
InChIInChI=1S/C13H16ClF3N2O/c1-7(2)5-10(18)12(20)19-11-4-3-8(6-9(11)14)13(15,16)17/h3-4,6-7,10H,5,18H2,1-2H3,(H,19,20)
InChIKeyVDEHZXGOYQEHNT-UHFFFAOYSA-N
XLogP3.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-carbamothioyl-N-[2-chloro-4-(trifluoromethyl)phenyl]butanamide
CID 63669300
(2S)-2-amino-N-[4-bromo-2-(trifluoromethyl)phenyl]-4-methylpentanamide
CID 61178655
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]acetamide
CID 43707397
2-acetamido-N-[2-chloro-4-(trifluoromethyl)phenyl]-3-sulfanylpropanamide
CID 107769554
(2S)-2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]hexanamide
CID 107143843
(2R)-2-amino-N-(2-bromo-4-chlorophenyl)-4-methylpentanamide
CID 104903780
2-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutanamide
CID 24690259
N-[2-chloro-4-(trifluoromethyl)phenyl]-4-propan-2-ylbenzamide
CID 17102264
N-[2-chloro-4-(trifluoromethyl)phenyl]-2-iodoacetamide
CID 166140537
N-[2-chloro-4-(trifluoromethyl)phenyl]-3-(ethylamino)butanamide
CID 62838644
(2R)-2-amino-4-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pentanamide
CID 103630266
2-chloro-N-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoyl]acetamide
CID 63669317

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide?
The IUPAC name of 2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide (CID 43707417) is 2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide.
What is the SMILES notation for 2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide?
The canonical SMILES for 2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide is CC(C)CC(N)C(=O)Nc1ccc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide?
The InChIKey is VDEHZXGOYQEHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c1-7(2)5-10(18)12(20)19-11-4-3-8(6-9(11)14)13(15,16)17/h3-4,6-7,10H,5,18H2,1-2H3,(H,19,20).
What are the key properties of 2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide?
2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide has a molecular weight of 308.73 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-chloro-4-(trifluoromethyl)phenyl]-4-methylpentanamide is sourced from PubChem (CID 43707417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).