N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide

C16H20F3N3O2 — CID 119575122

IUPACN-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCC(CN)(NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C16H20F3N3O2/c1-15(9-20,11-6-7-11)22-13(23)8-21-14(24)10-2-4-12(5-3-10)16(17,18)19/h2-5,11H,6-9,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyXVJTZUBWCUAMNH-UHFFFAOYSA-N
MW343.35 g/mol
LogP1.68
Rot. Bonds6

About N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide

N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide (PubChem CID 119575122) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
PubChem CID119575122
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC NameN-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide
SMILESCC(CN)(NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C16H20F3N3O2/c1-15(9-20,11-6-7-11)22-13(23)8-21-14(24)10-2-4-12(5-3-10)16(17,18)19/h2-5,11H,6-9,20H2,1H3,(H,21,24)(H,22,23)
InChIKeyXVJTZUBWCUAMNH-UHFFFAOYSA-N
XLogP1.68
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide (CID 119575122) is N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide is CC(CN)(NC(=O)CNC(=O)c1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
The InChIKey is XVJTZUBWCUAMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-15(9-20,11-6-7-11)22-13(23)8-21-14(24)10-2-4-12(5-3-10)16(17,18)19/h2-5,11H,6-9,20H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide?
N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide has a molecular weight of 343.35 g/mol, XLogP of 1.68, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1-amino-2-cyclopropylpropan-2-yl)amino]-2-oxoethyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 119575122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).