N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide

C14H18F3N3O2 — CID 17443888

IUPACN-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F3N3O2/c1-4-18-13(22)20-12(21)9(3)19-10-6-5-8(2)11(7-10)14(15,16)17/h5-7,9,19H,4H2,1-3H3,(H2,18,20,21,22)
InChIKeyXYXQFVMESPCQHJ-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.66
Rot. Bonds4

About N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide

N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide (PubChem CID 17443888) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
PubChem CID17443888
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC NameN-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
SMILESCCNC(=O)NC(=O)C(C)Nc1ccc(C)c(C(F)(F)F)c1
InChIInChI=1S/C14H18F3N3O2/c1-4-18-13(22)20-12(21)9(3)19-10-6-5-8(2)11(7-10)14(15,16)17/h5-7,9,19H,4H2,1-3H3,(H2,18,20,21,22)
InChIKeyXYXQFVMESPCQHJ-UHFFFAOYSA-N
XLogP2.66
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylpropyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 60704100
N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide
CID 60721218
N-(ethylcarbamoyl)-2-[3-(methanesulfonamido)-4-methylanilino]propanamide
CID 47079085
(2S)-2-[3-(2,2-difluoroethoxy)-4-methylanilino]-N-(ethylcarbamoyl)propanamide
CID 94818789
2-(4-acetamidoanilino)-N-(ethylcarbamoyl)propanamide
CID 43083279
N-(ethylcarbamoyl)-2-(3-fluoro-4-methoxyanilino)propanamide
CID 43380765
2-(3,4-dicyanoanilino)-N-(ethylcarbamoyl)propanamide
CID 107789245
(2S)-2-(2,3-dihydro-1H-inden-5-ylamino)-N-(ethylcarbamoyl)propanamide
CID 25408683
N-(ethylcarbamoyl)-2-[4-(propanoylamino)anilino]propanamide
CID 47065348
N-(ethylcarbamoyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123150
N-(ethylcarbamoyl)-2-[4-[2-(methylamino)-2-oxoethyl]anilino]propanamide
CID 86924151
ethyl 2-[3,4-bis(trifluoromethyl)anilino]propanoate
CID 86652692

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide (CID 17443888) is N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide is CCNC(=O)NC(=O)C(C)Nc1ccc(C)c(C(F)(F)F)c1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide?
The InChIKey is XYXQFVMESPCQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-4-18-13(22)20-12(21)9(3)19-10-6-5-8(2)11(7-10)14(15,16)17/h5-7,9,19H,4H2,1-3H3,(H2,18,20,21,22).
What are the key properties of N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide?
N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide has a molecular weight of 317.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 17443888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).