4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide

C14H17F3N2O — CID 63862980

IUPAC4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
SMILESCC1CC1CN(C)C(=O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c1-8-5-10(8)7-19(2)13(20)9-3-4-12(18)11(6-9)14(15,16)17/h3-4,6,8,10H,5,7,18H2,1-2H3
InChIKeyHABWDAQPLQTBIJ-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.02
Rot. Bonds3

About 4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide

4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 63862980) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID63862980
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
SMILESCC1CC1CN(C)C(=O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C14H17F3N2O/c1-8-5-10(8)7-19(2)13(20)9-3-4-12(18)11(6-9)14(15,16)17/h3-4,6,8,10H,5,7,18H2,1-2H3
InChIKeyHABWDAQPLQTBIJ-UHFFFAOYSA-N
XLogP3.02
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-methyl-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)benzamide
CID 62161986
4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-nitrobenzamide
CID 63861542
3-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63879392
4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide
CID 62156411
4-amino-N-cyclopropyl-N-(cyclopropylmethyl)-3-(trifluoromethyl)benzamide
CID 64521049
2-amino-5-fluoro-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 55257844
4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide
CID 62154997
4-amino-N-(cyclopropylmethyl)-N-propan-2-yl-3-(trifluoromethyl)benzamide
CID 62185001
4-amino-N,N-bis(2-hydroxyethyl)-3-(trifluoromethyl)benzamide
CID 62160495
N-methyl-N-[(2-methylcyclopropyl)methyl]-3-sulfamoylbenzamide
CID 55258090
4-amino-3-(trifluoromethyl)benzoic acid
CID 90656922
4-(ethylamino)-N-methyl-N-[(2-methylcyclopropyl)methyl]benzamide
CID 63863717

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide (CID 63862980) is 4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide is CC1CC1CN(C)C(=O)c1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is HABWDAQPLQTBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-8-5-10(8)7-19(2)13(20)9-3-4-12(18)11(6-9)14(15,16)17/h3-4,6,8,10H,5,7,18H2,1-2H3.
What are the key properties of 4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide?
4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 286.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 63862980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).