N-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide

C12H13F3N4O3 — CID 75398204

IUPACN-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)NN(C)C(N)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3N4O3/c1-6(20)17-9-4-7(3-8(5-9)12(13,14)15)10(21)18-19(2)11(16)22/h3-5H,1-2H3,(H2,16,22)(H,17,20)(H,18,21)
InChIKeyGODLBQZHZSOAMX-UHFFFAOYSA-N
MW318.26 g/mol
LogP1.32
Rot. Bonds2

About N-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide

N-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 75398204) has the molecular formula C12H13F3N4O3 and a molecular weight of 318.26 g/mol. Its IUPAC name is N-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide
PubChem CID75398204
Molecular FormulaC12H13F3N4O3
Molecular Weight318.26 g/mol
Exact Mass318.09
IUPAC NameN-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(C(=O)NN(C)C(N)=O)cc(C(F)(F)F)c1
InChIInChI=1S/C12H13F3N4O3/c1-6(20)17-9-4-7(3-8(5-9)12(13,14)15)10(21)18-19(2)11(16)22/h3-5H,1-2H3,(H2,16,22)(H,17,20)(H,18,21)
InChIKeyGODLBQZHZSOAMX-UHFFFAOYSA-N
XLogP1.32
TPSA104.53 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-acetamido-N-methylsulfonyl-5-(trifluoromethyl)benzamide
CID 154810388
3-acetamido-N-(2-amino-2-methylpropyl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119628226
N-(4-acetamidophenyl)-3,5-bis(trifluoromethyl)benzamide
CID 4842174
3-acetamido-N-[2-(aminomethyl)cyclopentyl]-5-(trifluoromethyl)benzamide
CID 119602942
4-[[3-acetamido-5-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 120535032
3-acetamido-N-[[4-(methylaminomethyl)phenyl]methyl]-5-(trifluoromethyl)benzamide;hydrochloride
CID 91645432
3-acetamido-N-(8-azabicyclo[3.2.1]octan-3-yl)-5-(trifluoromethyl)benzamide;hydrochloride
CID 119457403
5-[[3,5-bis(trifluoromethyl)benzoyl]amino]benzene-1,3-dicarboxylic acid
CID 45428652
3-[3,5-bis(trifluoromethyl)phenyl]-1,1-dipropylurea
CID 127585442
N-[3,5-bis(trifluoromethyl)phenyl]-4-(dimethylamino)-3,5-difluorobenzamide
CID 2804203
N-[3-formyl-5-(trifluoromethyl)phenyl]acetamide
CID 59569810
N-[3-(4-aminopiperidine-1-carbonyl)-5-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119374898

Frequently Asked Questions

What is the IUPAC name of N-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide (CID 75398204) is N-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cc(C(=O)NN(C)C(N)=O)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GODLBQZHZSOAMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O3/c1-6(20)17-9-4-7(3-8(5-9)12(13,14)15)10(21)18-19(2)11(16)22/h3-5H,1-2H3,(H2,16,22)(H,17,20)(H,18,21).
What are the key properties of N-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide?
N-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 318.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[carbamoyl(methyl)amino]carbamoyl]-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 75398204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).