2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide

C13H13ClF3N3O2 — CID 84515951

IUPAC2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide
SMILESO=C(CNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NC1CC1
InChIInChI=1S/C13H13ClF3N3O2/c14-10-4-3-8(5-9(10)13(15,16)17)20-12(22)18-6-11(21)19-7-1-2-7/h3-5,7H,1-2,6H2,(H,19,21)(H2,18,20,22)
InChIKeyPJQUXGAEZPYMKV-UHFFFAOYSA-N
MW335.71 g/mol
LogP2.76
Rot. Bonds4

About 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide

2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide (PubChem CID 84515951) has the molecular formula C13H13ClF3N3O2 and a molecular weight of 335.71 g/mol. Its IUPAC name is 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide
PubChem CID84515951
Molecular FormulaC13H13ClF3N3O2
Molecular Weight335.71 g/mol
Exact Mass335.06
IUPAC Name2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide
SMILESO=C(CNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NC1CC1
InChIInChI=1S/C13H13ClF3N3O2/c14-10-4-3-8(5-9(10)13(15,16)17)20-12(22)18-6-11(21)19-7-1-2-7/h3-5,7H,1-2,6H2,(H,19,21)(H2,18,20,22)
InChIKeyPJQUXGAEZPYMKV-UHFFFAOYSA-N
XLogP2.76
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.71
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(cyclopropylcarbamoylamino)benzamide
CID 39899500
N-[4-chloro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 3121382
N-(2,5-dichlorophenyl)-2-[[4-fluoro-3-(trifluoromethyl)phenyl]carbamoylamino]acetamide
CID 60598073
2-acetamido-N-[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]acetamide
CID 60559581
N'-[4-chloro-3-(trifluoromethyl)phenyl]-N-cyclohexyloxamide
CID 108504354
3-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclohexylpropanamide
CID 109014086
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(4-fluorophenyl)methylcarbamoylamino]acetamide
CID 26022207
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-(2-methylbutan-2-ylamino)phenyl]urea
CID 71038616
N-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 78811709
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-hydroxy-3-(trifluoromethyl)phenyl]urea
CID 19433222
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3,5-dimethylphenyl)methyl]urea
CID 3868756
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide?
The IUPAC name of 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide (CID 84515951) is 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide.
What is the SMILES notation for 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide?
The canonical SMILES for 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide is O=C(CNC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)NC1CC1.
What is the InChIKey of 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide?
The InChIKey is PJQUXGAEZPYMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClF3N3O2/c14-10-4-3-8(5-9(10)13(15,16)17)20-12(22)18-6-11(21)19-7-1-2-7/h3-5,7H,1-2,6H2,(H,19,21)(H2,18,20,22).
What are the key properties of 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide?
2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide has a molecular weight of 335.71 g/mol, XLogP of 2.76, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-N-cyclopropylacetamide is sourced from PubChem (CID 84515951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).