7-chloro-N-(2,2-difluoroethyl)-N-[(2S)-2-hydroxypropyl]-1-benzofuran-4-carboxamide

C14H14ClF2NO3 — CID 164641933

IUPAC7-chloro-N-(2,2-difluoroethyl)-N-[(2S)-2-hydroxypropyl]-1-benzofuran-4-carboxamide
SMILESC[C@H](O)CN(CC(F)F)C(=O)c1ccc(Cl)c2occc12
InChIInChI=1S/C14H14ClF2NO3/c1-8(19)6-18(7-12(16)17)14(20)10-2-3-11(15)13-9(10)4-5-21-13/h2-5,8,12,19H,6-7H2,1H3/t8-/m0/s1
InChIKeyXLKXZYOOWFTNOD-QMMMGPOBSA-N
MW317.72 g/mol
LogP3.17
Rot. Bonds5

About 7-chloro-N-(2,2-difluoroethyl)-N-[(2S)-2-hydroxypropyl]-1-benzofuran-4-carboxamide

7-chloro-N-(2,2-difluoroethyl)-N-[(2S)-2-hydroxypropyl]-1-benzofuran-4-carboxamide (PubChem CID 164641933) has the molecular formula C14H14ClF2NO3 and a molecular weight of 317.72 g/mol. Its IUPAC name is 7-chloro-N-(2,2-difluoroethyl)-N-[(2S)-2-hydroxypropyl]-1-benzofuran-4-carboxamide.

Molecular Properties

Compound Name7-chloro-N-(2,2-difluoroethyl)-N-[(2S)-2-hydroxypropyl]-1-benzofuran-4-carboxamide
PubChem CID164641933
Molecular FormulaC14H14ClF2NO3
Molecular Weight317.72 g/mol
Exact Mass317.06
IUPAC Name7-chloro-N-(2,2-difluoroethyl)-N-[(2S)-2-hydroxypropyl]-1-benzofuran-4-carboxamide
SMILESC[C@H](O)CN(CC(F)F)C(=O)c1ccc(Cl)c2occc12
InChIInChI=1S/C14H14ClF2NO3/c1-8(19)6-18(7-12(16)17)14(20)10-2-3-11(15)13-9(10)4-5-21-13/h2-5,8,12,19H,6-7H2,1H3/t8-/m0/s1
InChIKeyXLKXZYOOWFTNOD-QMMMGPOBSA-N
XLogP3.17
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.72
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-(2,2-difluoroethyl)-N-[(2S)-2-hydroxypropyl]-1-benzofuran-4-carboxamide?
The IUPAC name of 7-chloro-N-(2,2-difluoroethyl)-N-[(2S)-2-hydroxypropyl]-1-benzofuran-4-carboxamide (CID 164641933) is 7-chloro-N-(2,2-difluoroethyl)-N-[(2S)-2-hydroxypropyl]-1-benzofuran-4-carboxamide.
What is the SMILES notation for 7-chloro-N-(2,2-difluoroethyl)-N-[(2S)-2-hydroxypropyl]-1-benzofuran-4-carboxamide?
The canonical SMILES for 7-chloro-N-(2,2-difluoroethyl)-N-[(2S)-2-hydroxypropyl]-1-benzofuran-4-carboxamide is C[C@H](O)CN(CC(F)F)C(=O)c1ccc(Cl)c2occc12.
What is the InChIKey of 7-chloro-N-(2,2-difluoroethyl)-N-[(2S)-2-hydroxypropyl]-1-benzofuran-4-carboxamide?
The InChIKey is XLKXZYOOWFTNOD-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H14ClF2NO3/c1-8(19)6-18(7-12(16)17)14(20)10-2-3-11(15)13-9(10)4-5-21-13/h2-5,8,12,19H,6-7H2,1H3/t8-/m0/s1.
What are the key properties of 7-chloro-N-(2,2-difluoroethyl)-N-[(2S)-2-hydroxypropyl]-1-benzofuran-4-carboxamide?
7-chloro-N-(2,2-difluoroethyl)-N-[(2S)-2-hydroxypropyl]-1-benzofuran-4-carboxamide has a molecular weight of 317.72 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-(2,2-difluoroethyl)-N-[(2S)-2-hydroxypropyl]-1-benzofuran-4-carboxamide is sourced from PubChem (CID 164641933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).