N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide

C12H15F3N2O — CID 55042364

IUPACN-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide
SMILESCCCNc1ccc(C(=O)NC)cc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-3-6-17-10-5-4-8(11(18)16-2)7-9(10)12(13,14)15/h4-5,7,17H,3,6H2,1-2H3,(H,16,18)
InChIKeyQZHBPTNBEPFRDB-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.89
Rot. Bonds4

About N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide

N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide (PubChem CID 55042364) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide
PubChem CID55042364
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC NameN-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide
SMILESCCCNc1ccc(C(=O)NC)cc1C(F)(F)F
InChIInChI=1S/C12H15F3N2O/c1-3-6-17-10-5-4-8(11(18)16-2)7-9(10)12(13,14)15/h4-5,7,17H,3,6H2,1-2H3,(H,16,18)
InChIKeyQZHBPTNBEPFRDB-UHFFFAOYSA-N
XLogP2.89
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-benzamidoethylamino)-N-methyl-3-(trifluoromethyl)benzamide
CID 166428252
4-(ethylamino)-N-propyl-3-(trifluoromethyl)benzamide
CID 62171618
4-(ethylamino)-N-pentyl-3-(trifluoromethyl)benzamide
CID 62186743
4-amino-N-methyl-3-(trifluoromethyl)benzamide
CID 62156394
4-bromo-N-propyl-2-(trifluoromethyl)aniline
CID 60792864
4-bromo-N-propyl-3-(trifluoromethyl)benzamide
CID 81425842
4-hydrazinyl-N-pentyl-3-(trifluoromethyl)benzamide
CID 62234841
4-(ethylamino)-N-(2-methylcyclopropyl)-3-(trifluoromethyl)benzamide
CID 62409438
3-(butylamino)-N,4-dimethylbenzamide
CID 43726955
4-(butylamino)-3-methoxy-N-methylbenzamide
CID 178010173
N-[2-(dimethylamino)ethyl]-4-(methylamino)-3-(trifluoromethyl)benzamide
CID 62171664
3,4-ditert-butyl-N-methylbenzamide
CID 146575850

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide (CID 55042364) is N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide is CCCNc1ccc(C(=O)NC)cc1C(F)(F)F.
What is the InChIKey of N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide?
The InChIKey is QZHBPTNBEPFRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-3-6-17-10-5-4-8(11(18)16-2)7-9(10)12(13,14)15/h4-5,7,17H,3,6H2,1-2H3,(H,16,18).
What are the key properties of N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide?
N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide has a molecular weight of 260.26 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(propylamino)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 55042364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).