(2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C15H11ClFNO2 — CID 9077488

IUPAC(2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C15H11ClFNO2/c16-11-8-10(5-6-12(11)17)18-15(19)14-7-9-3-1-2-4-13(9)20-14/h1-6,8,14H,7H2,(H,18,19)/t14-/m0/s1
InChIKeyKKRKGUMNDCNVLA-AWEZNQCLSA-N
MW291.71 g/mol
LogP3.42
Rot. Bonds2

About (2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide

(2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 9077488) has the molecular formula C15H11ClFNO2 and a molecular weight of 291.71 g/mol. Its IUPAC name is (2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID9077488
Molecular FormulaC15H11ClFNO2
Molecular Weight291.71 g/mol
Exact Mass291.05
IUPAC Name(2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Cl)c1)[C@@H]1Cc2ccccc2O1
InChIInChI=1S/C15H11ClFNO2/c16-11-8-10(5-6-12(11)17)18-15(19)14-7-9-3-1-2-4-13(9)20-14/h1-6,8,14H,7H2,(H,18,19)/t14-/m0/s1
InChIKeyKKRKGUMNDCNVLA-AWEZNQCLSA-N
XLogP3.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(3,4-dichlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9071678
(2S)-N-(3-chloro-4-methoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9083111
N-[3-(2,3-dihydro-1-benzofuran-2-carbonylamino)-5-fluorophenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 166224450
N-(4-hydroxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43208767
(2R)-N-(3-acetamidophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 41045133
N-(2-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089270
N-(3-hydroxy-4-methylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 64794939
5-chloro-N-(3-chlorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 18089364
(2S)-N-(3-chloro-4-fluorophenyl)-4-methylsulfonyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide
CID 92672530
N-(3,4-dimethoxyphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 17438968
N-[3-chloro-4-[2-(diethylamino)-2-oxoethoxy]phenyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55611037
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 55414019

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of (2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 9077488) is (2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for (2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for (2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1Cc2ccccc2O1.
What is the InChIKey of (2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is KKRKGUMNDCNVLA-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H11ClFNO2/c16-11-8-10(5-6-12(11)17)18-15(19)14-7-9-3-1-2-4-13(9)20-14/h1-6,8,14H,7H2,(H,18,19)/t14-/m0/s1.
What are the key properties of (2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
(2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 291.71 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-chloro-4-fluorophenyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 9077488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).