7-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide

C19H16ClFN2O3 — CID 16546584

IUPAC7-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)CC(=O)Nc2cccc(F)c2)oc2c(Cl)cccc12
InChIInChI=1S/C19H16ClFN2O3/c1-11-14-7-4-8-15(20)18(14)26-17(11)19(25)23(2)10-16(24)22-13-6-3-5-12(21)9-13/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyAHPVYDIKCWQWDI-UHFFFAOYSA-N
MW374.80 g/mol
LogP4.24
Rot. Bonds4

About 7-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide

7-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide (PubChem CID 16546584) has the molecular formula C19H16ClFN2O3 and a molecular weight of 374.80 g/mol. Its IUPAC name is 7-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
PubChem CID16546584
Molecular FormulaC19H16ClFN2O3
Molecular Weight374.80 g/mol
Exact Mass374.08
IUPAC Name7-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)N(C)CC(=O)Nc2cccc(F)c2)oc2c(Cl)cccc12
InChIInChI=1S/C19H16ClFN2O3/c1-11-14-7-4-8-15(20)18(14)26-17(11)19(25)23(2)10-16(24)22-13-6-3-5-12(21)9-13/h3-9H,10H2,1-2H3,(H,22,24)
InChIKeyAHPVYDIKCWQWDI-UHFFFAOYSA-N
XLogP4.24
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.80
LogP ≤ 54.24
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-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The IUPAC name of 7-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide (CID 16546584) is 7-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide is Cc1c(C(=O)N(C)CC(=O)Nc2cccc(F)c2)oc2c(Cl)cccc12.
What is the InChIKey of 7-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
The InChIKey is AHPVYDIKCWQWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClFN2O3/c1-11-14-7-4-8-15(20)18(14)26-17(11)19(25)23(2)10-16(24)22-13-6-3-5-12(21)9-13/h3-9H,10H2,1-2H3,(H,22,24).
What are the key properties of 7-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide?
7-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide has a molecular weight of 374.80 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-(3-fluoroanilino)-2-oxoethyl]-N,3-dimethyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 16546584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).