2-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid

C14H13Cl2F2NO4 — CID 120977003

IUPAC2-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F
InChIInChI=1S/C14H13Cl2F2NO4/c15-7-3-6(11(10(16)4-7)23-14(17)18)5-19-12(20)8-1-2-9(8)13(21)22/h3-4,8-9,14H,1-2,5H2,(H,19,20)(H,21,22)
InChIKeyYAWKODWFTGDSRJ-UHFFFAOYSA-N
MW368.16 g/mol
LogP3.32
Rot. Bonds6

About 2-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid

2-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid (PubChem CID 120977003) has the molecular formula C14H13Cl2F2NO4 and a molecular weight of 368.16 g/mol. Its IUPAC name is 2-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
PubChem CID120977003
Molecular FormulaC14H13Cl2F2NO4
Molecular Weight368.16 g/mol
Exact Mass367.02
IUPAC Name2-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1CCC1C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F
InChIInChI=1S/C14H13Cl2F2NO4/c15-7-3-6(11(10(16)4-7)23-14(17)18)5-19-12(20)8-1-2-9(8)13(21)22/h3-4,8-9,14H,1-2,5H2,(H,19,20)(H,21,22)
InChIKeyYAWKODWFTGDSRJ-UHFFFAOYSA-N
XLogP3.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.16
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-2-(oxan-4-yl)acetamide
CID 120795550
2-[[4-chloro-3-(difluoromethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977324
(2S)-2-amino-N-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119810633
2-[(4-bromo-2-chlorophenyl)methylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120976837
N-[(3,5-dichloro-2-methoxyphenyl)methyl]cyclobutanecarboxamide
CID 110782988
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrazolidine-4-carboxamide
CID 134068694
cis-(1R,2S)-2-[(2,5-difluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 129379157
2-[(2,5-difluorophenyl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978789
cis-(1R,2S)-2-[[2-chloro-4-(trifluoromethyl)phenyl]methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 167752634
2-[(3-chloro-4-fluorophenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 62537256
5-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]-1H-indazole-3-carboxylic acid
CID 167747989
cis-(1S,2R)-2-[(2,4,6-trichlorophenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 42300958

Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The IUPAC name of 2-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid (CID 120977003) is 2-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 2-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The canonical SMILES for 2-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid is O=C(O)C1CCC1C(=O)NCc1cc(Cl)cc(Cl)c1OC(F)F.
What is the InChIKey of 2-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
The InChIKey is YAWKODWFTGDSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2F2NO4/c15-7-3-6(11(10(16)4-7)23-14(17)18)5-19-12(20)8-1-2-9(8)13(21)22/h3-4,8-9,14H,1-2,5H2,(H,19,20)(H,21,22).
What are the key properties of 2-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid?
2-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid has a molecular weight of 368.16 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dichloro-2-(difluoromethoxy)phenyl]methylcarbamoyl]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 120977003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).