ethyl 2-[(4-chlorophenyl)carbamoyl]-3-[[2-fluoro-4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate

C26H23ClFN3O6 — CID 66881688

IUPACethyl 2-[(4-chlorophenyl)carbamoyl]-3-[[2-fluoro-4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(C(=O)Nc2ccc(Cl)cc2)C1C(=O)Nc1ccc(-n2ccc(OC)cc2=O)cc1F
InChIInChI=1S/C26H23ClFN3O6/c1-3-37-26(35)23-21(24(33)29-15-6-4-14(27)5-7-15)22(23)25(34)30-19-9-8-16(12-18(19)28)31-11-10-17(36-2)13-20(31)32/h4-13,21-23H,3H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyLSWPJOVHJAMWHJ-UHFFFAOYSA-N
MW527.94 g/mol
LogP3.64
Rot. Bonds8

About ethyl 2-[(4-chlorophenyl)carbamoyl]-3-[[2-fluoro-4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate

ethyl 2-[(4-chlorophenyl)carbamoyl]-3-[[2-fluoro-4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate (PubChem CID 66881688) has the molecular formula C26H23ClFN3O6 and a molecular weight of 527.94 g/mol. Its IUPAC name is ethyl 2-[(4-chlorophenyl)carbamoyl]-3-[[2-fluoro-4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(4-chlorophenyl)carbamoyl]-3-[[2-fluoro-4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
PubChem CID66881688
Molecular FormulaC26H23ClFN3O6
Molecular Weight527.94 g/mol
Exact Mass527.13
IUPAC Nameethyl 2-[(4-chlorophenyl)carbamoyl]-3-[[2-fluoro-4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1C(C(=O)Nc2ccc(Cl)cc2)C1C(=O)Nc1ccc(-n2ccc(OC)cc2=O)cc1F
InChIInChI=1S/C26H23ClFN3O6/c1-3-37-26(35)23-21(24(33)29-15-6-4-14(27)5-7-15)22(23)25(34)30-19-9-8-16(12-18(19)28)31-11-10-17(36-2)13-20(31)32/h4-13,21-23H,3H2,1-2H3,(H,29,33)(H,30,34)
InChIKeyLSWPJOVHJAMWHJ-UHFFFAOYSA-N
XLogP3.64
TPSA115.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.94
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(4-chlorophenyl)carbamoyl]-3-[[2-fluoro-4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-[(4-chlorophenyl)carbamoyl]-3-[[2-fluoro-4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate (CID 66881688) is ethyl 2-[(4-chlorophenyl)carbamoyl]-3-[[2-fluoro-4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-[(4-chlorophenyl)carbamoyl]-3-[[2-fluoro-4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-[(4-chlorophenyl)carbamoyl]-3-[[2-fluoro-4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate is CCOC(=O)C1C(C(=O)Nc2ccc(Cl)cc2)C1C(=O)Nc1ccc(-n2ccc(OC)cc2=O)cc1F.
What is the InChIKey of ethyl 2-[(4-chlorophenyl)carbamoyl]-3-[[2-fluoro-4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate?
The InChIKey is LSWPJOVHJAMWHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClFN3O6/c1-3-37-26(35)23-21(24(33)29-15-6-4-14(27)5-7-15)22(23)25(34)30-19-9-8-16(12-18(19)28)31-11-10-17(36-2)13-20(31)32/h4-13,21-23H,3H2,1-2H3,(H,29,33)(H,30,34).
What are the key properties of ethyl 2-[(4-chlorophenyl)carbamoyl]-3-[[2-fluoro-4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate?
ethyl 2-[(4-chlorophenyl)carbamoyl]-3-[[2-fluoro-4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate has a molecular weight of 527.94 g/mol, XLogP of 3.64, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-chlorophenyl)carbamoyl]-3-[[2-fluoro-4-(4-methoxy-2-oxo-1-pyridinyl)phenyl]carbamoyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 66881688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).