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

C20H19F3N2O3 — CID 86271032

IUPAC1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-c1ccccc1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)14-8-9-15(13-6-2-1-3-7-13)16(12-14)24-18(28)25-19(17(26)27)10-4-5-11-19/h1-3,6-9,12H,4-5,10-11H2,(H,26,27)(H2,24,25,28)
InChIKeyLZSZOARSNJNBDV-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.89
Rot. Bonds4

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

1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 86271032) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is 1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID86271032
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC Name1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(Nc1cc(C(F)(F)F)ccc1-c1ccccc1)NC1(C(=O)O)CCCC1
InChIInChI=1S/C20H19F3N2O3/c21-20(22,23)14-8-9-15(13-6-2-1-3-7-13)16(12-14)24-18(28)25-19(17(26)27)10-4-5-11-19/h1-3,6-9,12H,4-5,10-11H2,(H,26,27)(H2,24,25,28)
InChIKeyLZSZOARSNJNBDV-UHFFFAOYSA-N
XLogP4.89
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-chloro-4-(trifluoromethyl)phenyl]carbamoylamino]cyclopropane-1-carboxylic acid
CID 65464806
1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 43329574
1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 45427620
1-[(2-iodophenyl)carbamoylamino]cycloheptane-1-carboxylic acid
CID 61184494
1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea
CID 22011313
1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2421688
1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61208643
1-[(5-chloro-2-fluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61199392
1-[(2-tert-butylphenyl)carbamoylamino]cyclobutane-1-carboxylic acid
CID 81156235
1-[(2,3,4-trifluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61182116
1-[[4-(3-hydroxypropyl)-3-[3-(trifluoromethyl)phenyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 123239957
1-[(5-bromo-2-fluorophenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 61202086

Frequently Asked Questions

What is the IUPAC name of 1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid (CID 86271032) is 1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid is O=C(Nc1cc(C(F)(F)F)ccc1-c1ccccc1)NC1(C(=O)O)CCCC1.
What is the InChIKey of 1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is LZSZOARSNJNBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c21-20(22,23)14-8-9-15(13-6-2-1-3-7-13)16(12-14)24-18(28)25-19(17(26)27)10-4-5-11-19/h1-3,6-9,12H,4-5,10-11H2,(H,26,27)(H2,24,25,28).
What are the key properties of 1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid?
1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 392.38 g/mol, XLogP of 4.89, 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]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 86271032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).