2-[5-chloro-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]phenoxy]acetic acid

C17H13ClF3NO5 — CID 18468183

IUPAC2-[5-chloro-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cc(Cl)ccc1C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H13ClF3NO5/c18-11-3-6-13(14(7-11)26-9-15(23)24)16(25)22-8-10-1-4-12(5-2-10)27-17(19,20)21/h1-7H,8-9H2,(H,22,25)(H,23,24)
InChIKeyQRFUWHJZABNGAP-UHFFFAOYSA-N
MW403.74 g/mol
LogP3.63
Rot. Bonds7

About 2-[5-chloro-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]phenoxy]acetic acid

2-[5-chloro-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]phenoxy]acetic acid (PubChem CID 18468183) has the molecular formula C17H13ClF3NO5 and a molecular weight of 403.74 g/mol. Its IUPAC name is 2-[5-chloro-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[5-chloro-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]phenoxy]acetic acid
PubChem CID18468183
Molecular FormulaC17H13ClF3NO5
Molecular Weight403.74 g/mol
Exact Mass403.04
IUPAC Name2-[5-chloro-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cc(Cl)ccc1C(=O)NCc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H13ClF3NO5/c18-11-3-6-13(14(7-11)26-9-15(23)24)16(25)22-8-10-1-4-12(5-2-10)27-17(19,20)21/h1-7H,8-9H2,(H,22,25)(H,23,24)
InChIKeyQRFUWHJZABNGAP-UHFFFAOYSA-N
XLogP3.63
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.74
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-2-hydroxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 18225179
2,5-dichloro-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]benzamide
CID 30342567
2-[2-[[3,5-bis(trifluoromethyl)phenyl]methylcarbamoyl]-5-methylphenoxy]acetic acid
CID 142035557
2-[4-(trifluoromethoxy)phenyl]-N-[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 112829044
4-chloro-2-ethoxy-N-[[4-fluoro-3-(hydroxymethyl)phenyl]methyl]benzamide
CID 110008175
4-chloro-2-methoxy-N-[(4-methylphenyl)methyl]benzamide
CID 47449992
2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 33311555
2-(2-acetyl-5-chlorophenoxy)acetic acid
CID 963906
N-benzyl-2-(trifluoromethoxy)benzamide
CID 174848356
2,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 779696
4-chloro-2-methoxy-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 71822149
2-[6-[[[1-(4-chlorophenyl)-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]methyl]naphthalen-2-yl]oxyacetic acid
CID 10118010

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[5-chloro-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]phenoxy]acetic acid (CID 18468183) is 2-[5-chloro-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[5-chloro-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[5-chloro-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]phenoxy]acetic acid is O=C(O)COc1cc(Cl)ccc1C(=O)NCc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[5-chloro-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]phenoxy]acetic acid?
The InChIKey is QRFUWHJZABNGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClF3NO5/c18-11-3-6-13(14(7-11)26-9-15(23)24)16(25)22-8-10-1-4-12(5-2-10)27-17(19,20)21/h1-7H,8-9H2,(H,22,25)(H,23,24).
What are the key properties of 2-[5-chloro-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]phenoxy]acetic acid?
2-[5-chloro-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]phenoxy]acetic acid has a molecular weight of 403.74 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[[4-(trifluoromethoxy)phenyl]methylcarbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 18468183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).