4-[[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid

C18H20F3NO3 — CID 125148433

IUPAC4-[[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H20F3NO3/c19-18(20,21)15-4-2-1-3-12(15)13-9-14(13)16(23)22-11-7-5-10(6-8-11)17(24)25/h1-4,10-11,13-14H,5-9H2,(H,22,23)(H,24,25)/t10?,11?,13-,14+/m0/s1
InChIKeyIPNRSEXYAZRXGD-DZYMPVBWSA-N
MW355.36 g/mol
LogP3.57
Rot. Bonds4

About 4-[[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid

4-[[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 125148433) has the molecular formula C18H20F3NO3 and a molecular weight of 355.36 g/mol. Its IUPAC name is 4-[[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
PubChem CID125148433
Molecular FormulaC18H20F3NO3
Molecular Weight355.36 g/mol
Exact Mass355.14
IUPAC Name4-[[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1
InChIInChI=1S/C18H20F3NO3/c19-18(20,21)15-4-2-1-3-12(15)13-9-14(13)16(23)22-11-7-5-10(6-8-11)17(24)25/h1-4,10-11,13-14H,5-9H2,(H,22,23)(H,24,25)/t10?,11?,13-,14+/m0/s1
InChIKeyIPNRSEXYAZRXGD-DZYMPVBWSA-N
XLogP3.57
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

4-[[(1R,2S)-2-(2,3-difluorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 125132036
N-cyclopropyl-2-[[(1S,2S)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]thiophene-3-carboxamide
CID 94828843
cis-(1R,2S)-N'-acetyl-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carbohydrazide
CID 95907598
3-[[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 119176944
(2S)-2-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]propanoic acid
CID 99849440
1-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclobutane-1-carboxylic acid
CID 124700304
4-[[(1S,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]butanoic acid
CID 129415418
trans-(1R,2R)-N-[(5S,9R)-2,2-dioxo-6-oxa-2λ6-thiaspiro[4.5]decan-9-yl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 97258880
N-(2-hydroxypropyl)-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 78856114
cis-(1R,3S)-3-[[2-(2,4-difluorophenyl)cyclopropanecarbonyl]amino]cyclopentane-1-carboxylic acid
CID 120678040
4-[[2-(3,4-dichlorophenyl)cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 119230221
4-bromo-N'-[2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]benzohydrazide
CID 78832337

Frequently Asked Questions

What is the IUPAC name of 4-[[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid (CID 125148433) is 4-[[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)CC1.
What is the InChIKey of 4-[[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is IPNRSEXYAZRXGD-DZYMPVBWSA-N. The full InChI is InChI=1S/C18H20F3NO3/c19-18(20,21)15-4-2-1-3-12(15)13-9-14(13)16(23)22-11-7-5-10(6-8-11)17(24)25/h1-4,10-11,13-14H,5-9H2,(H,22,23)(H,24,25)/t10?,11?,13-,14+/m0/s1.
What are the key properties of 4-[[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid?
4-[[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 355.36 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1R,2R)-2-[2-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 125148433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).