2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

C13H16ClF3N2O — CID 60646948

IUPAC2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCCC(C)NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2O/c1-3-8(2)18-7-12(20)19-9-4-5-11(14)10(6-9)13(15,16)17/h4-6,8,18H,3,7H2,1-2H3,(H,19,20)
InChIKeyHKWJGAZVMVJYMF-UHFFFAOYSA-N
MW308.73 g/mol
LogP3.69
Rot. Bonds5

About 2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide

2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 60646948) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID60646948
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC Name2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
SMILESCCC(C)NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2O/c1-3-8(2)18-7-12(20)19-9-4-5-11(14)10(6-9)13(15,16)17/h4-6,8,18H,3,7H2,1-2H3,(H,19,20)
InChIKeyHKWJGAZVMVJYMF-UHFFFAOYSA-N
XLogP3.69
TPSA41.13 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 ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-N-(4-chloro-3-fluorophenyl)acetamide
CID 54924903
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(1-phenylethylamino)acetamide
CID 84867134
2-acetamido-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]acetamide
CID 60559581
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-hydroxypentanamide
CID 79017846
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(3,5-dimethylanilino)acetamide
CID 109007487
2-(butan-2-ylamino)-N-(4-chlorophenyl)acetamide
CID 43179385
N-[3-[[2-(butan-2-ylamino)acetyl]amino]-4-chlorophenyl]butanamide
CID 54829100
N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-(3,5-dimethylphenyl)propanediamide
CID 108953737
N-[4-chloro-3-(trifluoromethyl)phenyl]-3,3-dimethylbutanamide
CID 803107
4-[[2-(butan-2-ylamino)acetyl]amino]-2-chlorobenzamide
CID 54925002
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide
CID 60638343

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide (CID 60646948) is 2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is CCC(C)NCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HKWJGAZVMVJYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O/c1-3-8(2)18-7-12(20)19-9-4-5-11(14)10(6-9)13(15,16)17/h4-6,8,18H,3,7H2,1-2H3,(H,19,20).
What are the key properties of 2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide?
2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 308.73 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 60646948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).