N-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide

C18H18F3N3O2 — CID 55476313

IUPACN-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
SMILESCc1ccc(NCC(=O)NC(=O)NCc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C18H18F3N3O2/c1-12-7-8-14(9-15(12)18(19,20)21)22-11-16(25)24-17(26)23-10-13-5-3-2-4-6-13/h2-9,22H,10-11H2,1H3,(H2,23,24,25,26)
InChIKeyPJYDSRWVXSUWBU-UHFFFAOYSA-N
MW365.36 g/mol
LogP3.45
Rot. Bonds5

About N-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide

N-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide (PubChem CID 55476313) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide.

Molecular Properties

Compound NameN-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
PubChem CID55476313
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
SMILESCc1ccc(NCC(=O)NC(=O)NCc2ccccc2)cc1C(F)(F)F
InChIInChI=1S/C18H18F3N3O2/c1-12-7-8-14(9-15(12)18(19,20)21)22-11-16(25)24-17(26)23-10-13-5-3-2-4-6-13/h2-9,22H,10-11H2,1H3,(H2,23,24,25,26)
InChIKeyPJYDSRWVXSUWBU-UHFFFAOYSA-N
XLogP3.45
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[2-(benzylcarbamoylamino)-2-oxoethyl]amino]-3-(trifluoromethyl)phenyl]benzamide
CID 60587785
N-(benzylcarbamoyl)-2-(4-fluoro-2-methylanilino)acetamide
CID 26439790
N-butyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 60703977
N-(2-acetylphenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 16580969
N-benzyl-3-[4-chloro-3-(trifluoromethyl)anilino]propanamide
CID 109018886
N-butan-2-yl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 60721340
N,N-dimethyl-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 54940880
2-(3,4-dimethylanilino)-N-(propylcarbamoyl)acetamide
CID 134008013
N-(2,4-difluorophenyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide
CID 16580967
N-[(4-chlorophenyl)methyl]-2-[4-chloro-3-(trifluoromethyl)anilino]acetamide
CID 108998273
1-[4-methyl-3-(trifluoromethyl)phenyl]-3-[(3-nitrophenyl)methyl]urea
CID 143012773
N-(benzylcarbamoyl)-2,2,2-trifluoroacetamide
CID 71671968

Frequently Asked Questions

What is the IUPAC name of N-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide?
The IUPAC name of N-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide (CID 55476313) is N-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide.
What is the SMILES notation for N-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide?
The canonical SMILES for N-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide is Cc1ccc(NCC(=O)NC(=O)NCc2ccccc2)cc1C(F)(F)F.
What is the InChIKey of N-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide?
The InChIKey is PJYDSRWVXSUWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c1-12-7-8-14(9-15(12)18(19,20)21)22-11-16(25)24-17(26)23-10-13-5-3-2-4-6-13/h2-9,22H,10-11H2,1H3,(H2,23,24,25,26).
What are the key properties of N-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide?
N-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide has a molecular weight of 365.36 g/mol, XLogP of 3.45, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(benzylcarbamoyl)-2-[4-methyl-3-(trifluoromethyl)anilino]acetamide is sourced from PubChem (CID 55476313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).