4-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

C16H17F4NO5 — CID 120674092

IUPAC4-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)CC1
InChIInChI=1S/C16H17F4NO5/c17-15(18)25-10-5-6-11(12(7-10)26-16(19)20)21-13(22)8-1-3-9(4-2-8)14(23)24/h5-9,15-16H,1-4H2,(H,21,22)(H,23,24)
InChIKeyDLJHDQJZFXOYEQ-UHFFFAOYSA-N
MW379.31 g/mol
LogP3.72
Rot. Bonds7

About 4-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid

4-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120674092) has the molecular formula C16H17F4NO5 and a molecular weight of 379.31 g/mol. Its IUPAC name is 4-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120674092
Molecular FormulaC16H17F4NO5
Molecular Weight379.31 g/mol
Exact Mass379.10
IUPAC Name4-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)CC1
InChIInChI=1S/C16H17F4NO5/c17-15(18)25-10-5-6-11(12(7-10)26-16(19)20)21-13(22)8-1-3-9(4-2-8)14(23)24/h5-9,15-16H,1-4H2,(H,21,22)(H,23,24)
InChIKeyDLJHDQJZFXOYEQ-UHFFFAOYSA-N
XLogP3.72
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.31
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(difluoromethoxy)-4-fluoroanilino]cyclohexane-1-carboxylic acid
CID 122029934
(3R)-N-[2,4-bis(difluoromethoxy)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 124615460
3-[[3-(difluoromethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 103550191
N-[2-(difluoromethoxy)-5-methoxyphenyl]piperidine-4-carboxamide
CID 43706019
1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122092933
N-[3-(difluoromethoxy)-4-methylphenyl]cyclopropanecarboxamide
CID 56790840
4-[[4-chloro-2-(2,2,2-trifluoroethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673647
4-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120674056
N-[2,4-bis(difluoromethoxy)phenyl]-4-(methylamino)butanamide
CID 119734504
4-[[2-(difluoromethoxy)-5-methoxyphenyl]methylamino]cyclohexane-1-carboxylic acid
CID 120509745
1-[[4-(difluoromethoxy)-2-fluorophenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122092940
4-[[2-(4-ethoxyphenoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672214

Frequently Asked Questions

What is the IUPAC name of 4-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid (CID 120674092) is 4-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(C(=O)Nc2ccc(OC(F)F)cc2OC(F)F)CC1.
What is the InChIKey of 4-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is DLJHDQJZFXOYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F4NO5/c17-15(18)25-10-5-6-11(12(7-10)26-16(19)20)21-13(22)8-1-3-9(4-2-8)14(23)24/h5-9,15-16H,1-4H2,(H,21,22)(H,23,24).
What are the key properties of 4-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid?
4-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 379.31 g/mol, XLogP of 3.72, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2,4-bis(difluoromethoxy)phenyl]carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).