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

C16H13F3N2O3 — CID 10268726

IUPAC2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O3/c17-16(18,19)11-5-3-6-12(9-11)20-15(24)21-13-7-2-1-4-10(13)8-14(22)23/h1-7,9H,8H2,(H,22,23)(H2,20,21,24)
InChIKeyAAYUIPSZZFLQFE-UHFFFAOYSA-N
MW338.29 g/mol
LogP3.98
Rot. Bonds4

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

2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid (PubChem CID 10268726) has the molecular formula C16H13F3N2O3 and a molecular weight of 338.29 g/mol. Its IUPAC name is 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
PubChem CID10268726
Molecular FormulaC16H13F3N2O3
Molecular Weight338.29 g/mol
Exact Mass338.09
IUPAC Name2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1NC(=O)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H13F3N2O3/c17-16(18,19)11-5-3-6-12(9-11)20-15(24)21-13-7-2-1-4-10(13)8-14(22)23/h1-7,9H,8H2,(H,22,23)(H2,20,21,24)
InChIKeyAAYUIPSZZFLQFE-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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Related Compounds

1-(2-sulfanylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 108886280
1-(2-phenylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 2421688
1-[3-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)-4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]urea
CID 2305670
1-[3,5-bis(trifluoromethyl)phenyl]-3-[2-(hydroxymethyl)phenyl]urea
CID 139246694
1-anilino-3-[3-(trifluoromethyl)phenyl]urea
CID 4549363
N-[3-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetamide
CID 970620
1-[3-(trifluoromethyl)phenyl]-3-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea
CID 90486688
1-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90562143
N-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]benzamide
CID 130471222
1-(4-benzoylphenyl)-3-[3-(trifluoromethyl)phenyl]urea
CID 134095686
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 4173499
1-(5-methylnaphthalen-1-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 170254167

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid?
The IUPAC name of 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid (CID 10268726) is 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid?
The canonical SMILES for 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid is O=C(O)Cc1ccccc1NC(=O)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid?
The InChIKey is AAYUIPSZZFLQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O3/c17-16(18,19)11-5-3-6-12(9-11)20-15(24)21-13-7-2-1-4-10(13)8-14(22)23/h1-7,9H,8H2,(H,22,23)(H2,20,21,24).
What are the key properties of 2-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid?
2-[2-[[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-[2-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]acetic acid is sourced from PubChem (CID 10268726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).