N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide

C18H17F3N2O2 — CID 17397571

IUPACN-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)15-8-4-7-14(11-15)17(25)23(10-9-16(22)24)12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H2,22,24)
InChIKeyRVFFOXIMYIOBIZ-UHFFFAOYSA-N
MW350.34 g/mol
LogP3.22
Rot. Bonds6

About N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide

N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide (PubChem CID 17397571) has the molecular formula C18H17F3N2O2 and a molecular weight of 350.34 g/mol. Its IUPAC name is N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide
PubChem CID17397571
Molecular FormulaC18H17F3N2O2
Molecular Weight350.34 g/mol
Exact Mass350.12
IUPAC NameN-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide
SMILESNC(=O)CCN(Cc1ccccc1)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C18H17F3N2O2/c19-18(20,21)15-8-4-7-14(11-15)17(25)23(10-9-16(22)24)12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H2,22,24)
InChIKeyRVFFOXIMYIOBIZ-UHFFFAOYSA-N
XLogP3.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698347
1-N,4-N-bis(3-amino-3-oxopropyl)-1-N,4-N-dibenzylbenzene-1,4-dicarboxamide
CID 28642997
methyl 3-[(3-amino-3-oxopropyl)-benzylcarbamoyl]benzoate
CID 28642596
N-(3,3-diphenylpropyl)-3-(trifluoromethyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 42698385
N-(3-amino-3-oxopropyl)-N-benzyl-3,5-dichlorobenzamide
CID 28642575
N-[2-[benzyl(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-propyl-3-(trifluoromethyl)benzamide
CID 5145017
1-N,3-N-dibenzyl-1-N,3-N-bis(2-hydroxyethyl)benzene-1,3-dicarboxamide
CID 3309530
2-amino-N-(2-amino-2-oxoethyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide;benzene
CID 144888100
N-(3-amino-3-oxopropyl)-N-benzyl-2-chlorobenzamide
CID 28642307
N-[(1-benzylpyrrol-2-yl)methyl]-N-butyl-3-(trifluoromethyl)benzamide
CID 3342497
methyl 3-[ethyl-[3-(trifluoromethyl)benzoyl]amino]propanoate
CID 61011016
3-[benzyl-(2,2,2-trichloroacetyl)amino]propanamide
CID 154136275

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide (CID 17397571) is N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide is NC(=O)CCN(Cc1ccccc1)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide?
The InChIKey is RVFFOXIMYIOBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O2/c19-18(20,21)15-8-4-7-14(11-15)17(25)23(10-9-16(22)24)12-13-5-2-1-3-6-13/h1-8,11H,9-10,12H2,(H2,22,24).
What are the key properties of N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide?
N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide has a molecular weight of 350.34 g/mol, XLogP of 3.22, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-3-oxopropyl)-N-benzyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 17397571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).