4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide

C12H13ClF2N2O3 — CID 66235659

IUPAC4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C12H13ClF2N2O3/c13-8-3-6(1-2-10(8)20-12(14)15)17-11(18)7-4-19-5-9(7)16/h1-3,7,9,12H,4-5,16H2,(H,17,18)
InChIKeyIYARZZNPGAEORQ-UHFFFAOYSA-N
MW306.70 g/mol
LogP1.85
Rot. Bonds4

About 4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide

4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide (PubChem CID 66235659) has the molecular formula C12H13ClF2N2O3 and a molecular weight of 306.70 g/mol. Its IUPAC name is 4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide
PubChem CID66235659
Molecular FormulaC12H13ClF2N2O3
Molecular Weight306.70 g/mol
Exact Mass306.06
IUPAC Name4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide
SMILESNC1COCC1C(=O)Nc1ccc(OC(F)F)c(Cl)c1
InChIInChI=1S/C12H13ClF2N2O3/c13-8-3-6(1-2-10(8)20-12(14)15)17-11(18)7-4-19-5-9(7)16/h1-3,7,9,12H,4-5,16H2,(H,17,18)
InChIKeyIYARZZNPGAEORQ-UHFFFAOYSA-N
XLogP1.85
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.70
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]cyclohexane-1-carboxamide
CID 64822097
4-amino-N-(4-bromo-3-chlorophenyl)oxolane-3-carboxamide
CID 107620314
4-amino-N-(3-carbamoyl-4-chlorophenyl)oxolane-3-carboxamide
CID 66241024
N-[3-chloro-4-(difluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119676727
4-amino-N-[3-bromo-4-(trifluoromethoxy)phenyl]oxolane-3-carboxamide
CID 107336426
4-amino-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]oxolane-3-carboxamide
CID 66240431
N-[3-chloro-4-(difluoromethoxy)phenyl]-2,2-difluoroacetamide
CID 113218222
N-[3-chloro-4-(difluoromethoxy)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119676762
4-amino-N-(4-propan-2-yloxyphenyl)oxolane-3-carboxamide
CID 66239409
4-amino-N-[4-(carbamoylamino)phenyl]oxolane-3-carboxamide
CID 66238841
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 66235449
2-[[4-chloro-3-(difluoromethoxy)phenyl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120977324

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide?
The IUPAC name of 4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide (CID 66235659) is 4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide is NC1COCC1C(=O)Nc1ccc(OC(F)F)c(Cl)c1.
What is the InChIKey of 4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide?
The InChIKey is IYARZZNPGAEORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF2N2O3/c13-8-3-6(1-2-10(8)20-12(14)15)17-11(18)7-4-19-5-9(7)16/h1-3,7,9,12H,4-5,16H2,(H,17,18).
What are the key properties of 4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide?
4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide has a molecular weight of 306.70 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-chloro-4-(difluoromethoxy)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 66235659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).