N-[3-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]phenyl]acetamide

C18H18F3N3O3 — CID 86994660

IUPACN-[3-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CNC(=O)NCc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C18H18F3N3O3/c1-12(25)24-15-7-4-5-13(9-15)10-22-17(26)23-11-14-6-2-3-8-16(14)27-18(19,20)21/h2-9H,10-11H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyYQDPSHRZCDLCBH-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.54
Rot. Bonds6

About N-[3-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]phenyl]acetamide

N-[3-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]phenyl]acetamide (PubChem CID 86994660) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is N-[3-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]phenyl]acetamide
PubChem CID86994660
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC NameN-[3-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(CNC(=O)NCc2ccccc2OC(F)(F)F)c1
InChIInChI=1S/C18H18F3N3O3/c1-12(25)24-15-7-4-5-13(9-15)10-22-17(26)23-11-14-6-2-3-8-16(14)27-18(19,20)21/h2-9H,10-11H2,1H3,(H,24,25)(H2,22,23,26)
InChIKeyYQDPSHRZCDLCBH-UHFFFAOYSA-N
XLogP3.54
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
N-[4-[[(2-methoxyphenyl)methylcarbamoylamino]methyl]phenyl]acetamide
CID 38206034
tert-butyl N-[3-[[2-(trifluoromethoxy)phenyl]methylcarbamoyl]phenyl]carbamate
CID 34555235
2-(benzylcarbamoylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 38260097
3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 9451822
1-(5-chloro-2-methylphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 74229487
N-butyl-4-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]benzamide
CID 112829565
2-[[2-(4-acetamidoanilino)-2-oxoethyl]-ethylamino]-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 24565559
1-diethoxyphosphoryl-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3584248
1-(2-methyl-6-propan-2-ylphenyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817685
1-[[3-(methoxymethyl)phenyl]methyl]-2-methyl-3-[[2-(trifluoromethoxy)phenyl]methyl]guanidine
CID 111848309

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]phenyl]acetamide (CID 86994660) is N-[3-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]phenyl]acetamide is CC(=O)Nc1cccc(CNC(=O)NCc2ccccc2OC(F)(F)F)c1.
What is the InChIKey of N-[3-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]phenyl]acetamide?
The InChIKey is YQDPSHRZCDLCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-12(25)24-15-7-4-5-13(9-15)10-22-17(26)23-11-14-6-2-3-8-16(14)27-18(19,20)21/h2-9H,10-11H2,1H3,(H,24,25)(H2,22,23,26).
What are the key properties of N-[3-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]phenyl]acetamide?
N-[3-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]phenyl]acetamide has a molecular weight of 381.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(trifluoromethoxy)phenyl]methylcarbamoylamino]methyl]phenyl]acetamide is sourced from PubChem (CID 86994660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).