2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid

C16H13F3N2O3 — CID 970307

IUPAC2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H13F3N2O3/c17-16(18,19)11-2-1-3-13(9-11)21-15(24)20-12-6-4-10(5-7-12)8-14(22)23/h1-7,9H,8H2,(H,22,23)(H2,20,21,24)
InChIKeyIEAMAUKFMWPNQA-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.98
Rot. Bonds4

About 2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid

2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid (PubChem CID 970307) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
PubChem CID970307
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC Name2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C16H13F3N2O3/c17-16(18,19)11-2-1-3-13(9-11)21-15(24)20-12-6-4-10(5-7-12)8-14(22)23/h1-7,9H,8H2,(H,22,23)(H2,20,21,24)
InChIKeyIEAMAUKFMWPNQA-UHFFFAOYSA-N
XLogP3.98
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid (CID 970307) is 2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid is O=C(O)Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid?
The InChIKey is IEAMAUKFMWPNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c17-16(18,19)11-2-1-3-13(9-11)21-15(24)20-12-6-4-10(5-7-12)8-14(22)23/h1-7,9H,8H2,(H,22,23)(H2,20,21,24).
What are the key properties of 2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid?
2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid has a molecular weight of 338.29 g/mol, XLogP of 3.98, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 970307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).