N-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide

C14H16ClF3N2O2 — CID 166070249

IUPACN-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCc1cc(Cl)ccc1NC(=O)C(NC(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C14H16ClF3N2O2/c1-7(2)11(20-13(22)14(16,17)18)12(21)19-10-5-4-9(15)6-8(10)3/h4-7,11H,1-3H3,(H,19,21)(H,20,22)
InChIKeyDZTUQXWYOTWGOI-UHFFFAOYSA-N
MW336.74 g/mol
LogP3.29
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide

N-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide (PubChem CID 166070249) has the molecular formula C14H16ClF3N2O2 and a molecular weight of 336.74 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
PubChem CID166070249
Molecular FormulaC14H16ClF3N2O2
Molecular Weight336.74 g/mol
Exact Mass336.09
IUPAC NameN-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
SMILESCc1cc(Cl)ccc1NC(=O)C(NC(=O)C(F)(F)F)C(C)C
InChIInChI=1S/C14H16ClF3N2O2/c1-7(2)11(20-13(22)14(16,17)18)12(21)19-10-5-4-9(15)6-8(10)3/h4-7,11H,1-3H3,(H,19,21)(H,20,22)
InChIKeyDZTUQXWYOTWGOI-UHFFFAOYSA-N
XLogP3.29
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.74
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-2,6-difluorobenzamide
CID 55335505
N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 112763269
N-[1-(4-chloro-2-methylanilino)-3-methyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55335504
N-(2,3-dimethylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 166070234
N-(4-chloro-2-methylphenyl)-2,2-difluoroacetamide
CID 103605147
1-(4-chloro-2-methylphenyl)-3-propan-2-ylurea
CID 5199743
2-(carbamoylamino)-N-(5-chloro-2-fluorophenyl)-3-methylbutanamide
CID 42906469
2-(4-chloro-2-methylphenoxy)-N-(4-chloro-2-methylphenyl)propanamide
CID 2791540
1-(4-chloro-2-methylphenyl)-3-(4-hydroxy-3-methylbutan-2-yl)urea
CID 111452596
3-methyl-N-[2-(3-methylbenzoyl)phenyl]-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 166070243
2,4-dichloro-N-[(2S)-3-methyl-1-(2-methylanilino)-1-oxobutan-2-yl]benzamide
CID 9138352
N-(4-chloro-2-methylphenyl)-2-ethylbutanamide
CID 882107

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide (CID 166070249) is N-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide is Cc1cc(Cl)ccc1NC(=O)C(NC(=O)C(F)(F)F)C(C)C.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
The InChIKey is DZTUQXWYOTWGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O2/c1-7(2)11(20-13(22)14(16,17)18)12(21)19-10-5-4-9(15)6-8(10)3/h4-7,11H,1-3H3,(H,19,21)(H,20,22).
What are the key properties of N-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide?
N-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide has a molecular weight of 336.74 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-3-methyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide is sourced from PubChem (CID 166070249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).