N-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide

C18H18F3N3O3 — CID 47033491

IUPACN-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)Nc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F3N3O3/c1-12-6-8-13(9-7-12)22-16(25)11-24(2)17(26)23-14-4-3-5-15(10-14)27-18(19,20)21/h3-10H,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyQEGLBWXDQBOCRZ-UHFFFAOYSA-N
MW381.35 g/mol
LogP4.00
Rot. Bonds5

About N-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide

N-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide (PubChem CID 47033491) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide
PubChem CID47033491
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC NameN-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)Nc2cccc(OC(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F3N3O3/c1-12-6-8-13(9-7-12)22-16(25)11-24(2)17(26)23-14-4-3-5-15(10-14)27-18(19,20)21/h3-10H,11H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyQEGLBWXDQBOCRZ-UHFFFAOYSA-N
XLogP4.00
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetic acid
CID 43318577
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9366505
2-[methyl-[2-(4-methylphenoxy)acetyl]amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 9220518
6-(dimethylamino)-N-[3-(trifluoromethoxy)phenyl]hexanamide
CID 167849259
2-[(3,4-dichlorophenyl)carbamoyl-methylamino]-N-(4-methylphenyl)acetamide
CID 27869715
N,2,5-trimethyl-N-[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl]benzamide
CID 9220591
2-methoxy-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 60725062
2-[(4-fluorophenyl)carbamoyl-methylamino]-N-phenylacetamide
CID 134121107
2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 55370235
2-(2,2,2-trifluoroethylamino)-N-[3-(trifluoromethoxy)phenyl]acetamide
CID 78924197
5-oxo-5-[3-(trifluoromethoxy)anilino]pentanoic acid
CID 43420046
3-[cyclopropyl-[2-(2,5-dimethylanilino)-2-oxoethyl]amino]-N-[3-(trifluoromethoxy)phenyl]propanamide
CID 84568204

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide?
The IUPAC name of N-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide (CID 47033491) is N-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide is Cc1ccc(NC(=O)CN(C)C(=O)Nc2cccc(OC(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide?
The InChIKey is QEGLBWXDQBOCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-12-6-8-13(9-7-12)22-16(25)11-24(2)17(26)23-14-4-3-5-15(10-14)27-18(19,20)21/h3-10H,11H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide?
N-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide has a molecular weight of 381.35 g/mol, XLogP of 4.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[methyl-[[3-(trifluoromethoxy)phenyl]carbamoyl]amino]acetamide is sourced from PubChem (CID 47033491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).