4-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid

C17H21F2NO4 — CID 120674056

IUPAC4-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)C1CCC(C(=O)O)CC1)c1ccccc1OC(F)F
InChIInChI=1S/C17H21F2NO4/c1-10(13-4-2-3-5-14(13)24-17(18)19)20-15(21)11-6-8-12(9-7-11)16(22)23/h2-5,10-12,17H,6-9H2,1H3,(H,20,21)(H,22,23)
InChIKeyNVZJWFGMTIOPCI-UHFFFAOYSA-N
MW341.35 g/mol
LogP3.36
Rot. Bonds6

About 4-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid

4-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120674056) has the molecular formula C17H21F2NO4 and a molecular weight of 341.35 g/mol. Its IUPAC name is 4-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120674056
Molecular FormulaC17H21F2NO4
Molecular Weight341.35 g/mol
Exact Mass341.14
IUPAC Name4-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(NC(=O)C1CCC(C(=O)O)CC1)c1ccccc1OC(F)F
InChIInChI=1S/C17H21F2NO4/c1-10(13-4-2-3-5-14(13)24-17(18)19)20-15(21)11-6-8-12(9-7-11)16(22)23/h2-5,10-12,17H,6-9H2,1H3,(H,20,21)(H,22,23)
InChIKeyNVZJWFGMTIOPCI-UHFFFAOYSA-N
XLogP3.36
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[1-[2-(difluoromethoxy)phenyl]ethyl]piperidine-2-carboxamide
CID 103808923
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methoxypropanamide
CID 112685807
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]propanamide
CID 43709973
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpropanamide;hydrochloride
CID 119285570
1-[1-[2-(difluoromethoxy)phenyl]ethyl]azetidine-3-carboxylic acid
CID 65072099
N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119716596
1-[1-[2-(difluoromethoxy)phenyl]ethyl]pyrrolidine-3-carboxylic acid
CID 65066569
N-[(1R)-1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 9220068
N-[1-(2-bromophenyl)ethyl]cyclopropanecarboxamide
CID 18111915
(2S)-2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]butanamide;hydrochloride
CID 119285586
4-[1-(2-chloro-4-fluorophenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673773
3-amino-N-[(1S)-1-(2-methoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 81387626

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120674056) is 4-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid is CC(NC(=O)C1CCC(C(=O)O)CC1)c1ccccc1OC(F)F.
What is the InChIKey of 4-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is NVZJWFGMTIOPCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F2NO4/c1-10(13-4-2-3-5-14(13)24-17(18)19)20-15(21)11-6-8-12(9-7-11)16(22)23/h2-5,10-12,17H,6-9H2,1H3,(H,20,21)(H,22,23).
What are the key properties of 4-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 341.35 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(difluoromethoxy)phenyl]ethylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120674056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).