1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid

C18H15F3N2O3 — CID 86271033

IUPAC1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-c1ccccc1)NC1(C(=O)O)CC1
InChIInChI=1S/C18H15F3N2O3/c19-18(20,21)12-6-7-13(11-4-2-1-3-5-11)14(10-12)22-16(26)23-17(8-9-17)15(24)25/h1-7,10H,8-9H2,(H,24,25)(H2,22,23,26)
InChIKeyWRYIDIDIYPDNAK-UHFFFAOYSA-N
MW364.32 g/mol
LogP4.11
Rot. Bonds4

About 1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid

1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid (PubChem CID 86271033) has the molecular formula C18H15F3N2O3 and a molecular weight of 364.32 g/mol. Its IUPAC name is 1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid
PubChem CID86271033
Molecular FormulaC18H15F3N2O3
Molecular Weight364.32 g/mol
Exact Mass364.10
IUPAC Name1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-c1ccccc1)NC1(C(=O)O)CC1
InChIInChI=1S/C18H15F3N2O3/c19-18(20,21)12-6-7-13(11-4-2-1-3-5-11)14(10-12)22-16(26)23-17(8-9-17)15(24)25/h1-7,10H,8-9H2,(H,24,25)(H2,22,23,26)
InChIKeyWRYIDIDIYPDNAK-UHFFFAOYSA-N
XLogP4.11
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 54.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid (CID 86271033) is 1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid is O=C(Nc1cc(C(F)(F)F)ccc1-c1ccccc1)NC1(C(=O)O)CC1.
What is the InChIKey of 1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid?
The InChIKey is WRYIDIDIYPDNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3/c19-18(20,21)12-6-7-13(11-4-2-1-3-5-11)14(10-12)22-16(26)23-17(8-9-17)15(24)25/h1-7,10H,8-9H2,(H,24,25)(H2,22,23,26).
What are the key properties of 1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid?
1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid has a molecular weight of 364.32 g/mol, XLogP of 4.11, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 86271033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).