4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide

C14H19F3N2O — CID 62154997

IUPAC4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide
SMILESCCCC(C)N(C)C(=O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-4-5-9(2)19(3)13(20)10-6-7-12(18)11(8-10)14(15,16)17/h6-9H,4-5,18H2,1-3H3
InChIKeyRXCCCVIWMQISMO-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.55
Rot. Bonds4

About 4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide

4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide (PubChem CID 62154997) has the molecular formula C14H19F3N2O and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide
PubChem CID62154997
Molecular FormulaC14H19F3N2O
Molecular Weight288.31 g/mol
Exact Mass288.14
IUPAC Name4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide
SMILESCCCC(C)N(C)C(=O)c1ccc(N)c(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O/c1-4-5-9(2)19(3)13(20)10-6-7-12(18)11(8-10)14(15,16)17/h6-9H,4-5,18H2,1-3H3
InChIKeyRXCCCVIWMQISMO-UHFFFAOYSA-N
XLogP3.55
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.55
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-hexan-2-yl-3-(trifluoromethyl)benzamide
CID 62199911
4-amino-N-methyl-N-[(2-methylcyclopropyl)methyl]-3-(trifluoromethyl)benzamide
CID 63862980
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
4-amino-N-(4-methylpentyl)-3-(trifluoromethyl)benzamide
CID 63004218
4-(aminomethyl)-N-methyl-N-pentan-2-ylbenzamide
CID 43571598
4-amino-3-(trifluoromethyl)benzoic acid
CID 90656922
4-bromo-N-methyl-N-pentan-2-ylbenzamide
CID 43430203
4-amino-N-(4-methylpentan-2-yl)-3-(trifluoromethyl)benzamide
CID 62155637
4-amino-N-cyclohexyl-N-methyl-3-(trifluoromethyl)benzamide
CID 62156411
4-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methyl-3-(trifluoromethyl)benzamide
CID 62236816

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide (CID 62154997) is 4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide is CCCC(C)N(C)C(=O)c1ccc(N)c(C(F)(F)F)c1.
What is the InChIKey of 4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide?
The InChIKey is RXCCCVIWMQISMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O/c1-4-5-9(2)19(3)13(20)10-6-7-12(18)11(8-10)14(15,16)17/h6-9H,4-5,18H2,1-3H3.
What are the key properties of 4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide?
4-amino-N-methyl-N-pentan-2-yl-3-(trifluoromethyl)benzamide has a molecular weight of 288.31 g/mol, XLogP of 3.55, 4 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-pentan-2-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 62154997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).