N-methyl-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide

C18H18F3NO2 — CID 70618728

IUPACN-methyl-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide
SMILESCC(C)Oc1cccc(N(C)C(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H18F3NO2/c1-12(2)24-16-6-4-5-15(11-16)22(3)17(23)13-7-9-14(10-8-13)18(19,20)21/h4-12H,1-3H3
InChIKeyUQLWSAZZAVPCOG-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.77
Rot. Bonds4

About N-methyl-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide

N-methyl-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide (PubChem CID 70618728) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-methyl-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide
PubChem CID70618728
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN-methyl-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide
SMILESCC(C)Oc1cccc(N(C)C(=O)c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C18H18F3NO2/c1-12(2)24-16-6-4-5-15(11-16)22(3)17(23)13-7-9-14(10-8-13)18(19,20)21/h4-12H,1-3H3
InChIKeyUQLWSAZZAVPCOG-UHFFFAOYSA-N
XLogP4.77
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-methyl-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide (CID 70618728) is N-methyl-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-methyl-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-methyl-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide is CC(C)Oc1cccc(N(C)C(=O)c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-methyl-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide?
The InChIKey is UQLWSAZZAVPCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-12(2)24-16-6-4-5-15(11-16)22(3)17(23)13-7-9-14(10-8-13)18(19,20)21/h4-12H,1-3H3.
What are the key properties of N-methyl-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide?
N-methyl-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide has a molecular weight of 337.34 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-propan-2-yloxyphenyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 70618728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).