1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid

C15H16F3NO3 — CID 45427620

IUPAC1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3NO3/c16-15(17,18)11-6-4-10(5-7-11)12(20)19-14(13(21)22)8-2-1-3-9-14/h4-7H,1-3,8-9H2,(H,19,20)(H,21,22)
InChIKeyQWDGMUFFARCJPA-UHFFFAOYSA-N
MW315.29 g/mol
LogP3.22
Rot. Bonds3

About 1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid

1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 45427620) has the molecular formula C15H16F3NO3 and a molecular weight of 315.29 g/mol. Its IUPAC name is 1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID45427620
Molecular FormulaC15H16F3NO3
Molecular Weight315.29 g/mol
Exact Mass315.11
IUPAC Name1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H16F3NO3/c16-15(17,18)11-6-4-10(5-7-11)12(20)19-14(13(21)22)8-2-1-3-9-14/h4-7H,1-3,8-9H2,(H,19,20)(H,21,22)
InChIKeyQWDGMUFFARCJPA-UHFFFAOYSA-N
XLogP3.22
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.29
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[4-(trifluoromethyl)benzoyl]amino]cyclopropane-1-carboxylic acid
CID 65451385
1-[[3-(trifluoromethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 43329574
1-[(4-ethylbenzoyl)amino]cycloheptane-1-carboxylic acid
CID 43341634
1-[(4-cyanobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 24705520
1-[[6-(trifluoromethyl)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81158696
1-[(4-iodobenzoyl)amino]cyclobutane-1-carboxylic acid
CID 81158516
1-[(3,4-dihydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 67604335
1-[(4-methylsulfanylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 43351071
1-[[4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzoyl]amino]cyclobutane-1-carboxylic acid
CID 120530908
1-[[4-(3-hydroxypropyl)-3-[3-(trifluoromethyl)phenyl]benzoyl]amino]cyclohexane-1-carboxylic acid
CID 123239957
N-(1-phenylcyclopropyl)-4-(trifluoromethyl)benzamide
CID 110445847
1-[[4-(methylsulfanylmethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 43351099

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid (CID 45427620) is 1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is QWDGMUFFARCJPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO3/c16-15(17,18)11-6-4-10(5-7-11)12(20)19-14(13(21)22)8-2-1-3-9-14/h4-7H,1-3,8-9H2,(H,19,20)(H,21,22).
What are the key properties of 1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid?
1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 315.29 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(trifluoromethyl)benzoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 45427620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).