2-(carbamoylamino)-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzoic acid

C16H10F6N2O3 — CID 18471660

IUPAC2-(carbamoylamino)-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzoic acid
SMILESNC(=O)Nc1cc(C(F)(F)F)cc(-c2ccccc2C(F)(F)F)c1C(=O)O
InChIInChI=1S/C16H10F6N2O3/c17-15(18,19)7-5-9(8-3-1-2-4-10(8)16(20,21)22)12(13(25)26)11(6-7)24-14(23)27/h1-6H,(H,25,26)(H3,23,24,27)
InChIKeyRFSQYZINDNYCDE-UHFFFAOYSA-N
MW392.26 g/mol
LogP4.58
Rot. Bonds3

About 2-(carbamoylamino)-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzoic acid

2-(carbamoylamino)-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzoic acid (PubChem CID 18471660) has the molecular formula C16H10F6N2O3 and a molecular weight of 392.26 g/mol. Its IUPAC name is 2-(carbamoylamino)-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-(carbamoylamino)-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzoic acid
PubChem CID18471660
Molecular FormulaC16H10F6N2O3
Molecular Weight392.26 g/mol
Exact Mass392.06
IUPAC Name2-(carbamoylamino)-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzoic acid
SMILESNC(=O)Nc1cc(C(F)(F)F)cc(-c2ccccc2C(F)(F)F)c1C(=O)O
InChIInChI=1S/C16H10F6N2O3/c17-15(18,19)7-5-9(8-3-1-2-4-10(8)16(20,21)22)12(13(25)26)11(6-7)24-14(23)27/h1-6H,(H,25,26)(H3,23,24,27)
InChIKeyRFSQYZINDNYCDE-UHFFFAOYSA-N
XLogP4.58
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.26
LogP ≤ 54.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[2-(trifluoromethyl)phenyl]phenyl]carbamic acid
CID 69312353
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
5-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzene-1,2,3,4-tetracarboxylic acid
CID 175474580
3-chloro-5-[2-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 134626264
[2-(2-methyl-3-pyridinyl)-5-(trifluoromethyl)phenyl]urea
CID 141484585
5-(trifluoromethyl)-1,3-bis[2-(trifluoromethyl)phenyl]-2-[4-[2-(trifluoromethyl)phenyl]phenyl]benzene
CID 176828118
N,N'-bis[2-(trifluoromethyl)phenyl]oxamide
CID 3696493
2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134617711
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol
CID 118806468
4,6-dimethyl-2-[2-(trifluoromethyl)phenyl]pyrimidine-5-carboxylic acid
CID 115069883
5,6-bis[2-(trifluoromethyl)phenyl]pyridine-3-carboxylic acid
CID 134629102
6-oxo-5-[2-(trifluoromethyl)phenyl]-1H-pyridine-3-carboxylic acid
CID 53223948

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzoic acid?
The IUPAC name of 2-(carbamoylamino)-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzoic acid (CID 18471660) is 2-(carbamoylamino)-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzoic acid.
What is the SMILES notation for 2-(carbamoylamino)-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzoic acid?
The canonical SMILES for 2-(carbamoylamino)-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzoic acid is NC(=O)Nc1cc(C(F)(F)F)cc(-c2ccccc2C(F)(F)F)c1C(=O)O.
What is the InChIKey of 2-(carbamoylamino)-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzoic acid?
The InChIKey is RFSQYZINDNYCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6N2O3/c17-15(18,19)7-5-9(8-3-1-2-4-10(8)16(20,21)22)12(13(25)26)11(6-7)24-14(23)27/h1-6H,(H,25,26)(H3,23,24,27).
What are the key properties of 2-(carbamoylamino)-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzoic acid?
2-(carbamoylamino)-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzoic acid has a molecular weight of 392.26 g/mol, XLogP of 4.58, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-4-(trifluoromethyl)-6-[2-(trifluoromethyl)phenyl]benzoic acid is sourced from PubChem (CID 18471660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).