3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide

C14H19F3N2O2 — CID 61109632

IUPAC3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc(C(=O)N(CC(C)C)CC(F)(F)F)cc1N
InChIInChI=1S/C14H19F3N2O2/c1-9(2)7-19(8-14(15,16)17)13(20)10-4-5-12(21-3)11(18)6-10/h4-6,9H,7-8,18H2,1-3H3
InChIKeyWNKCLCUXMBMFMK-UHFFFAOYSA-N
MW304.31 g/mol
LogP2.94
Rot. Bonds5

About 3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide

3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 61109632) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID61109632
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
SMILESCOc1ccc(C(=O)N(CC(C)C)CC(F)(F)F)cc1N
InChIInChI=1S/C14H19F3N2O2/c1-9(2)7-19(8-14(15,16)17)13(20)10-4-5-12(21-3)11(18)6-10/h4-6,9H,7-8,18H2,1-3H3
InChIKeyWNKCLCUXMBMFMK-UHFFFAOYSA-N
XLogP2.94
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-methoxy-N-(2-methoxyethyl)-N-(2-methylpropyl)benzamide
CID 61105605
3-amino-N,N-diethyl-4-methoxybenzamide
CID 16770695
3-amino-N-(2-cyanoethyl)-4-methoxy-N-(2-methylpropyl)benzamide
CID 61116424
4-ethoxy-3-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 86938126
3-bromo-4-fluoro-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 103707119
3-amino-4-(3-methylbutylamino)-N,N-bis(2,2,2-trifluoroethyl)benzamide
CID 11668137
3-amino-4-methoxy-N-methyl-N-(1-methylsulfanylpropan-2-yl)benzamide
CID 112656487
3-iodo-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide
CID 54938230
3-amino-N-ethyl-4-methoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 61115212
3-amino-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 61108683
3-amino-4-methoxy-N-(1-methoxypropan-2-yl)-N-methylbenzamide
CID 61109312
3,4-dimethoxy-N-prop-2-enyl-N-(2,2,2-trifluoroethyl)benzamide
CID 51094556

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide (CID 61109632) is 3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide is COc1ccc(C(=O)N(CC(C)C)CC(F)(F)F)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is WNKCLCUXMBMFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-9(2)7-19(8-14(15,16)17)13(20)10-4-5-12(21-3)11(18)6-10/h4-6,9H,7-8,18H2,1-3H3.
What are the key properties of 3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide?
3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 304.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 61109632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).