N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide

C15H20F3N3O2 — CID 86833634

IUPACN-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)N(C)CCC(F)(F)F)c1
InChIInChI=1S/C15H20F3N3O2/c1-10(2)19-14(23)20-12-6-4-5-11(9-12)13(22)21(3)8-7-15(16,17)18/h4-6,9-10H,7-8H2,1-3H3,(H2,19,20,23)
InChIKeyPZYPKLWKMCZEEO-UHFFFAOYSA-N
MW331.34 g/mol
LogP3.24
Rot. Bonds5

About N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide

N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide (PubChem CID 86833634) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide.

Molecular Properties

Compound NameN-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide
PubChem CID86833634
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC NameN-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide
SMILESCC(C)NC(=O)Nc1cccc(C(=O)N(C)CCC(F)(F)F)c1
InChIInChI=1S/C15H20F3N3O2/c1-10(2)19-14(23)20-12-6-4-5-11(9-12)13(22)21(3)8-7-15(16,17)18/h4-6,9-10H,7-8H2,1-3H3,(H2,19,20,23)
InChIKeyPZYPKLWKMCZEEO-UHFFFAOYSA-N
XLogP3.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(propan-2-ylcarbamoylamino)-N-(2,2,2-trifluoroethyl)benzamide
CID 38024268
N-[2-(3,5-dimethylphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 55650177
N-[3-[methyl(3,3,3-trifluoropropyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 86833573
N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 47067365
N-[(3-chlorophenyl)methyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 55648297
N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-3-(propan-2-ylcarbamoylamino)benzamide
CID 55932655
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 38035453
3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 86833598
N-methyl-3-(propan-2-ylcarbamoylamino)-N-[(2-pyrrolidin-1-ylphenyl)methyl]benzamide
CID 47051980
N-(2-hydroxypropyl)-3-(propan-2-ylcarbamoylamino)benzamide
CID 78869572
2-[cyclopropyl-[3-(propan-2-ylcarbamoylamino)benzoyl]amino]acetic acid
CID 119194825
N-[1-(2,5-difluorophenyl)ethyl]-N-methyl-3-(propan-2-ylcarbamoylamino)benzamide
CID 86980736

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide?
The IUPAC name of N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide (CID 86833634) is N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide.
What is the SMILES notation for N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide?
The canonical SMILES for N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide is CC(C)NC(=O)Nc1cccc(C(=O)N(C)CCC(F)(F)F)c1.
What is the InChIKey of N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide?
The InChIKey is PZYPKLWKMCZEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-10(2)19-14(23)20-12-6-4-5-11(9-12)13(22)21(3)8-7-15(16,17)18/h4-6,9-10H,7-8H2,1-3H3,(H2,19,20,23).
What are the key properties of N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide?
N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide has a molecular weight of 331.34 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(propan-2-ylcarbamoylamino)-N-(3,3,3-trifluoropropyl)benzamide is sourced from PubChem (CID 86833634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).