4-(cyclopropylmethyl)-N,N-dimethyl-2-(trifluoromethyl)benzamide

C14H16F3NO — CID 165350746

IUPAC4-(cyclopropylmethyl)-N,N-dimethyl-2-(trifluoromethyl)benzamide
SMILESCN(C)C(=O)c1ccc(CC2CC2)cc1C(F)(F)F
InChIInChI=1S/C14H16F3NO/c1-18(2)13(19)11-6-5-10(7-9-3-4-9)8-12(11)14(15,16)17/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyINUDYOKGBSFOLF-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.36
Rot. Bonds3

About 4-(cyclopropylmethyl)-N,N-dimethyl-2-(trifluoromethyl)benzamide

4-(cyclopropylmethyl)-N,N-dimethyl-2-(trifluoromethyl)benzamide (PubChem CID 165350746) has the molecular formula C14H16F3NO and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-(cyclopropylmethyl)-N,N-dimethyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylmethyl)-N,N-dimethyl-2-(trifluoromethyl)benzamide
PubChem CID165350746
Molecular FormulaC14H16F3NO
Molecular Weight271.28 g/mol
Exact Mass271.12
IUPAC Name4-(cyclopropylmethyl)-N,N-dimethyl-2-(trifluoromethyl)benzamide
SMILESCN(C)C(=O)c1ccc(CC2CC2)cc1C(F)(F)F
InChIInChI=1S/C14H16F3NO/c1-18(2)13(19)11-6-5-10(7-9-3-4-9)8-12(11)14(15,16)17/h5-6,8-9H,3-4,7H2,1-2H3
InChIKeyINUDYOKGBSFOLF-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(cyclopropylmethyl)-2-(trifluoromethyl)benzamide
CID 165345913
4-(piperidin-4-ylmethyl)-2-(trifluoromethyl)benzamide
CID 175939271
1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one
CID 71048144
methyl 4-(cyclopropylmethyl)-2-methoxybenzoate
CID 172691889
4-(methoxymethyl)-2-(trifluoromethyl)benzoic acid
CID 117220672
5-[1-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]-N,N-dimethyl-1H-pyrazole-4-carboxamide
CID 166229602
6-tert-butyl-N,N-dimethyl-4-(trifluoromethyl)pyridine-3-carboxamide
CID 121391254
3-bromo-1-[4-ethyl-2-(trifluoromethyl)phenyl]propan-1-one
CID 134624971
N-cycloheptyl-N-methyl-2-(trifluoromethyl)benzamide
CID 55469731
4-chloro-N-methoxy-N-methyl-2-(trifluoromethyl)benzamide
CID 162570663
2-[[4-fluoro-2-(trifluoromethyl)benzoyl]-methylamino]propanoic acid
CID 119358734
3-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]pyrrolidine-1-carboxamide
CID 173469715

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylmethyl)-N,N-dimethyl-2-(trifluoromethyl)benzamide?
The IUPAC name of 4-(cyclopropylmethyl)-N,N-dimethyl-2-(trifluoromethyl)benzamide (CID 165350746) is 4-(cyclopropylmethyl)-N,N-dimethyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-(cyclopropylmethyl)-N,N-dimethyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for 4-(cyclopropylmethyl)-N,N-dimethyl-2-(trifluoromethyl)benzamide is CN(C)C(=O)c1ccc(CC2CC2)cc1C(F)(F)F.
What is the InChIKey of 4-(cyclopropylmethyl)-N,N-dimethyl-2-(trifluoromethyl)benzamide?
The InChIKey is INUDYOKGBSFOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO/c1-18(2)13(19)11-6-5-10(7-9-3-4-9)8-12(11)14(15,16)17/h5-6,8-9H,3-4,7H2,1-2H3.
What are the key properties of 4-(cyclopropylmethyl)-N,N-dimethyl-2-(trifluoromethyl)benzamide?
4-(cyclopropylmethyl)-N,N-dimethyl-2-(trifluoromethyl)benzamide has a molecular weight of 271.28 g/mol, XLogP of 3.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylmethyl)-N,N-dimethyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 165350746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).