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

C11H13F3N2O — CID 62326575

IUPACN-methyl-3-[4-(trifluoromethyl)anilino]propanamide
SMILESCNC(=O)CCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O/c1-15-10(17)6-7-16-9-4-2-8(3-5-9)11(12,13)14/h2-5,16H,6-7H2,1H3,(H,15,17)
InChIKeyPAGNNBCAUVXOTN-UHFFFAOYSA-N
MW246.23 g/mol
LogP2.25
Rot. Bonds4

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

N-methyl-3-[4-(trifluoromethyl)anilino]propanamide (PubChem CID 62326575) has the molecular formula C11H13F3N2O and a molecular weight of 246.23 g/mol. Its IUPAC name is N-methyl-3-[4-(trifluoromethyl)anilino]propanamide.

Molecular Properties

Compound NameN-methyl-3-[4-(trifluoromethyl)anilino]propanamide
PubChem CID62326575
Molecular FormulaC11H13F3N2O
Molecular Weight246.23 g/mol
Exact Mass246.10
IUPAC NameN-methyl-3-[4-(trifluoromethyl)anilino]propanamide
SMILESCNC(=O)CCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2O/c1-15-10(17)6-7-16-9-4-2-8(3-5-9)11(12,13)14/h2-5,16H,6-7H2,1H3,(H,15,17)
InChIKeyPAGNNBCAUVXOTN-UHFFFAOYSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[4-(trifluoromethyl)anilino]propanoic acid
CID 28897348
1-[4-(trifluoromethyl)anilino]pentan-3-one
CID 154015684
3-(4-chloroanilino)-N-methylpropanamide
CID 10899951
N-(3-methylbut-3-enyl)-4-(trifluoromethyl)aniline
CID 114471916
3-(4-cyanoanilino)-N-methylpropanamide
CID 60967721
N-(2-methoxyphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109039356
3-[4-(trifluoromethyl)anilino]-N-(3,4,5-trimethoxyphenyl)propanamide
CID 109040860
N-(4-chloro-2-methylphenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109038512
N-(2,5-dichlorophenyl)-3-[4-(trifluoromethyl)anilino]propanamide
CID 109040864
3-(3-fluoro-4-methylanilino)-N-methylpropanamide
CID 62325316
N-methyl-N'-[4-(trifluoromethyl)phenyl]oxamide
CID 44998962
4-(4-iodoanilino)-N-methylbutanamide
CID 63891617

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-[4-(trifluoromethyl)anilino]propanamide?
The IUPAC name of N-methyl-3-[4-(trifluoromethyl)anilino]propanamide (CID 62326575) is N-methyl-3-[4-(trifluoromethyl)anilino]propanamide.
What is the SMILES notation for N-methyl-3-[4-(trifluoromethyl)anilino]propanamide?
The canonical SMILES for N-methyl-3-[4-(trifluoromethyl)anilino]propanamide is CNC(=O)CCNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-methyl-3-[4-(trifluoromethyl)anilino]propanamide?
The InChIKey is PAGNNBCAUVXOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O/c1-15-10(17)6-7-16-9-4-2-8(3-5-9)11(12,13)14/h2-5,16H,6-7H2,1H3,(H,15,17).
What are the key properties of N-methyl-3-[4-(trifluoromethyl)anilino]propanamide?
N-methyl-3-[4-(trifluoromethyl)anilino]propanamide has a molecular weight of 246.23 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-[4-(trifluoromethyl)anilino]propanamide is sourced from PubChem (CID 62326575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).