N-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide

C15H18F3NO — CID 167757145

IUPACN-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C15H18F3NO/c1-11(2)19(10-12-6-4-3-5-7-12)13(20)14(8-9-14)15(16,17)18/h3-7,11H,8-10H2,1-2H3
InChIKeyGNLVDNWFMKOSNU-UHFFFAOYSA-N
MW285.31 g/mol
LogP3.77
Rot. Bonds4

About N-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide

N-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 167757145) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is N-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID167757145
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC NameN-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)C1(C(F)(F)F)CC1
InChIInChI=1S/C15H18F3NO/c1-11(2)19(10-12-6-4-3-5-7-12)13(20)14(8-9-14)15(16,17)18/h3-7,11H,8-10H2,1-2H3
InChIKeyGNLVDNWFMKOSNU-UHFFFAOYSA-N
XLogP3.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-benzyl-1-phenyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 113198160
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CID 108977111
N-benzyl-1-(piperidine-1-carbonyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 108972011
(2S)-2-amino-N-benzyl-3-methyl-N-propan-2-ylbutanamide
CID 22690747
1-N'-benzyl-1-N-[(4-methylphenyl)methyl]-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108975241
2-amino-N-benzyl-N-propan-2-ylcyclopropane-1-carboxamide
CID 55035812
N-propan-2-yl-N-(thiophen-2-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 63709337
1-N'-benzyl-1-N-cyclohexyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108972199
1-N-(4-acetylphenyl)-1-N'-benzyl-1-N'-propan-2-ylcyclopropane-1,1-dicarboxamide
CID 108979606
1-N'-benzyl-1-N'-propan-2-yl-1-N-(2,4,6-trimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108979580
N-benzyl-4-methyl-N-propan-2-ylpentanamide
CID 86978961

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of N-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide (CID 167757145) is N-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide is CC(C)N(Cc1ccccc1)C(=O)C1(C(F)(F)F)CC1.
What is the InChIKey of N-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is GNLVDNWFMKOSNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c1-11(2)19(10-12-6-4-3-5-7-12)13(20)14(8-9-14)15(16,17)18/h3-7,11H,8-10H2,1-2H3.
What are the key properties of N-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide?
N-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 285.31 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-propan-2-yl-1-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 167757145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).