2-(3-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-carboxamide

C15H10ClF2NO2 — CID 175959549

IUPAC2-(3-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESNC(=O)c1ccc(F)c2c1OC(c1ccc(F)c(Cl)c1)C2
InChIInChI=1S/C15H10ClF2NO2/c16-10-5-7(1-3-12(10)18)13-6-9-11(17)4-2-8(15(19)20)14(9)21-13/h1-5,13H,6H2,(H2,19,20)
InChIKeyPDEFFCQNANOWKX-UHFFFAOYSA-N
MW309.70 g/mol
LogP3.39
Rot. Bonds2

About 2-(3-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-carboxamide

2-(3-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-carboxamide (PubChem CID 175959549) has the molecular formula C15H10ClF2NO2 and a molecular weight of 309.70 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-carboxamide
PubChem CID175959549
Molecular FormulaC15H10ClF2NO2
Molecular Weight309.70 g/mol
Exact Mass309.04
IUPAC Name2-(3-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-carboxamide
SMILESNC(=O)c1ccc(F)c2c1OC(c1ccc(F)c(Cl)c1)C2
InChIInChI=1S/C15H10ClF2NO2/c16-10-5-7(1-3-12(10)18)13-6-9-11(17)4-2-8(15(19)20)14(9)21-13/h1-5,13H,6H2,(H2,19,20)
InChIKeyPDEFFCQNANOWKX-UHFFFAOYSA-N
XLogP3.39
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chloro-4-fluorophenyl)benzene-1,3-dicarboxamide
CID 152528464
3-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]propan-1-one;hydrochloride
CID 119315236
(2R,3R)-3-(3-chloro-4-fluorophenyl)-N-(diaminomethylidene)bicyclo[2.2.1]heptane-2-carboxamide
CID 54160583
6-chloro-2-(3-chloro-4-fluorophenyl)-3,4-dihydro-2H-chromen-4-amine
CID 114708988
2-amino-1-[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]ethanone;hydrochloride
CID 119315238
2-(3-chloro-4-fluorophenyl)-1,4-oxazepane
CID 43498384
4-amino-5-chloro-2-methyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 139656076
5-(3,4-dichlorophenyl)-2-fluorobenzamide
CID 134623243
2-(3-chloro-4-fluorophenyl)-6-fluoro-3,4-dihydro-2H-chromen-4-amine
CID 114708584
2,5-dichloro-3-fluorobenzamide
CID 121228309
3-(3-chloro-4-fluorophenyl)-5-oxopyrrolidine-2-carboxylic acid
CID 105359970
4-chloro-2-pyrrolidin-1-ylbenzamide
CID 175755085

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-carboxamide?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-carboxamide (CID 175959549) is 2-(3-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-carboxamide?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-carboxamide is NC(=O)c1ccc(F)c2c1OC(c1ccc(F)c(Cl)c1)C2.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-carboxamide?
The InChIKey is PDEFFCQNANOWKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2NO2/c16-10-5-7(1-3-12(10)18)13-6-9-11(17)4-2-8(15(19)20)14(9)21-13/h1-5,13H,6H2,(H2,19,20).
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-carboxamide?
2-(3-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-carboxamide has a molecular weight of 309.70 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-4-fluoro-2,3-dihydro-1-benzofuran-7-carboxamide is sourced from PubChem (CID 175959549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).