N-[4-[[2-(benzylcarbamoylamino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide

C24H21F3N4O3 — CID 60587785

IUPACN-[4-[[2-(benzylcarbamoylamino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CNc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)NC(=O)NCc1ccccc1
InChIInChI=1S/C24H21F3N4O3/c25-24(26,27)19-13-18(30-22(33)17-9-5-2-6-10-17)11-12-20(19)28-15-21(32)31-23(34)29-14-16-7-3-1-4-8-16/h1-13,28H,14-15H2,(H,30,33)(H2,29,31,32,34)
InChIKeyHDMGWEBBTXGVIC-UHFFFAOYSA-N
MW470.45 g/mol
LogP4.40
Rot. Bonds7

About N-[4-[[2-(benzylcarbamoylamino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide

N-[4-[[2-(benzylcarbamoylamino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide (PubChem CID 60587785) has the molecular formula C24H21F3N4O3 and a molecular weight of 470.45 g/mol. Its IUPAC name is N-[4-[[2-(benzylcarbamoylamino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[[2-(benzylcarbamoylamino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide
PubChem CID60587785
Molecular FormulaC24H21F3N4O3
Molecular Weight470.45 g/mol
Exact Mass470.16
IUPAC NameN-[4-[[2-(benzylcarbamoylamino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide
SMILESO=C(CNc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)NC(=O)NCc1ccccc1
InChIInChI=1S/C24H21F3N4O3/c25-24(26,27)19-13-18(30-22(33)17-9-5-2-6-10-17)11-12-20(19)28-15-21(32)31-23(34)29-14-16-7-3-1-4-8-16/h1-13,28H,14-15H2,(H,30,33)(H2,29,31,32,34)
InChIKeyHDMGWEBBTXGVIC-UHFFFAOYSA-N
XLogP4.40
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.45
LogP ≤ 54.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[4-benzamido-2-(trifluoromethyl)phenyl]carbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 47093559
N-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 55476313
N-[4-[[2-(4-morpholin-4-ylanilino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 60524314
N-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 26439790
N-[4-[[1-[(1S)-1-hydroxy-2-methylpropyl]cyclopropyl]methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 97335706
N-[4-[(2-ethoxy-3-pyridinyl)methylcarbamoylamino]-3-(trifluoromethyl)phenyl]benzamide
CID 55743685
N-benzyl-N'-[4-chloro-3-(trifluoromethyl)phenyl]propanediamide
CID 108945335
1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109054164
N-[4-[[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 60524193
N-[3-[[2-(benzylamino)-2-oxoethyl]amino]-2-methylphenyl]benzamide
CID 55918836
1-N-benzyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109046746
4-[[4-benzamido-2-(trifluoromethyl)anilino]methyl]-3-nitrobenzamide
CID 60524221

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(benzylcarbamoylamino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-[4-[[2-(benzylcarbamoylamino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide (CID 60587785) is N-[4-[[2-(benzylcarbamoylamino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-[4-[[2-(benzylcarbamoylamino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-[4-[[2-(benzylcarbamoylamino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide is O=C(CNc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)NC(=O)NCc1ccccc1.
What is the InChIKey of N-[4-[[2-(benzylcarbamoylamino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is HDMGWEBBTXGVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O3/c25-24(26,27)19-13-18(30-22(33)17-9-5-2-6-10-17)11-12-20(19)28-15-21(32)31-23(34)29-14-16-7-3-1-4-8-16/h1-13,28H,14-15H2,(H,30,33)(H2,29,31,32,34).
What are the key properties of N-[4-[[2-(benzylcarbamoylamino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide?
N-[4-[[2-(benzylcarbamoylamino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 470.45 g/mol, XLogP of 4.40, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(benzylcarbamoylamino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 60587785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).