N-(6-carbamoyl-7-fluoro-2,3-dihydro-1-benzofuran-3-yl)-6-chloro-1-methylindole-2-carboxamide

C19H15ClFN3O3 — CID 177140406

IUPACN-(6-carbamoyl-7-fluoro-2,3-dihydro-1-benzofuran-3-yl)-6-chloro-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NC2COc3c2ccc(C(N)=O)c3F)cc2ccc(Cl)cc21
InChIInChI=1S/C19H15ClFN3O3/c1-24-14-7-10(20)3-2-9(14)6-15(24)19(26)23-13-8-27-17-11(13)4-5-12(16(17)21)18(22)25/h2-7,13H,8H2,1H3,(H2,22,25)(H,23,26)
InChIKeyNASSDIOVQRCUQF-UHFFFAOYSA-N
MW387.80 g/mol
LogP2.93
Rot. Bonds3

About N-(6-carbamoyl-7-fluoro-2,3-dihydro-1-benzofuran-3-yl)-6-chloro-1-methylindole-2-carboxamide

N-(6-carbamoyl-7-fluoro-2,3-dihydro-1-benzofuran-3-yl)-6-chloro-1-methylindole-2-carboxamide (PubChem CID 177140406) has the molecular formula C19H15ClFN3O3 and a molecular weight of 387.80 g/mol. Its IUPAC name is N-(6-carbamoyl-7-fluoro-2,3-dihydro-1-benzofuran-3-yl)-6-chloro-1-methylindole-2-carboxamide.

Molecular Properties

Compound NameN-(6-carbamoyl-7-fluoro-2,3-dihydro-1-benzofuran-3-yl)-6-chloro-1-methylindole-2-carboxamide
PubChem CID177140406
Molecular FormulaC19H15ClFN3O3
Molecular Weight387.80 g/mol
Exact Mass387.08
IUPAC NameN-(6-carbamoyl-7-fluoro-2,3-dihydro-1-benzofuran-3-yl)-6-chloro-1-methylindole-2-carboxamide
SMILESCn1c(C(=O)NC2COc3c2ccc(C(N)=O)c3F)cc2ccc(Cl)cc21
InChIInChI=1S/C19H15ClFN3O3/c1-24-14-7-10(20)3-2-9(14)6-15(24)19(26)23-13-8-27-17-11(13)4-5-12(16(17)21)18(22)25/h2-7,13H,8H2,1H3,(H2,22,25)(H,23,26)
InChIKeyNASSDIOVQRCUQF-UHFFFAOYSA-N
XLogP2.93
TPSA86.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.80
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(6-carbamoyl-7-fluoro-2,3-dihydro-1-benzofuran-3-yl)-6-chloro-1-methylindole-2-carboxamide?
The IUPAC name of N-(6-carbamoyl-7-fluoro-2,3-dihydro-1-benzofuran-3-yl)-6-chloro-1-methylindole-2-carboxamide (CID 177140406) is N-(6-carbamoyl-7-fluoro-2,3-dihydro-1-benzofuran-3-yl)-6-chloro-1-methylindole-2-carboxamide.
What is the SMILES notation for N-(6-carbamoyl-7-fluoro-2,3-dihydro-1-benzofuran-3-yl)-6-chloro-1-methylindole-2-carboxamide?
The canonical SMILES for N-(6-carbamoyl-7-fluoro-2,3-dihydro-1-benzofuran-3-yl)-6-chloro-1-methylindole-2-carboxamide is Cn1c(C(=O)NC2COc3c2ccc(C(N)=O)c3F)cc2ccc(Cl)cc21.
What is the InChIKey of N-(6-carbamoyl-7-fluoro-2,3-dihydro-1-benzofuran-3-yl)-6-chloro-1-methylindole-2-carboxamide?
The InChIKey is NASSDIOVQRCUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFN3O3/c1-24-14-7-10(20)3-2-9(14)6-15(24)19(26)23-13-8-27-17-11(13)4-5-12(16(17)21)18(22)25/h2-7,13H,8H2,1H3,(H2,22,25)(H,23,26).
What are the key properties of N-(6-carbamoyl-7-fluoro-2,3-dihydro-1-benzofuran-3-yl)-6-chloro-1-methylindole-2-carboxamide?
N-(6-carbamoyl-7-fluoro-2,3-dihydro-1-benzofuran-3-yl)-6-chloro-1-methylindole-2-carboxamide has a molecular weight of 387.80 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-carbamoyl-7-fluoro-2,3-dihydro-1-benzofuran-3-yl)-6-chloro-1-methylindole-2-carboxamide is sourced from PubChem (CID 177140406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).