7-fluoro-4-(2-iodobenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

C20H14FIN2O2S — CID 23790614

IUPAC7-fluoro-4-(2-iodobenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESO=C1CN(C(=O)c2ccccc2I)C(c2cccs2)c2cc(F)ccc2N1
InChIInChI=1S/C20H14FIN2O2S/c21-12-7-8-16-14(10-12)19(17-6-3-9-27-17)24(11-18(25)23-16)20(26)13-4-1-2-5-15(13)22/h1-10,19H,11H2,(H,23,25)
InChIKeyFTLNVTXWXCGBJD-UHFFFAOYSA-N
MW492.31 g/mol
LogP4.68
Rot. Bonds2

About 7-fluoro-4-(2-iodobenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one

7-fluoro-4-(2-iodobenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (PubChem CID 23790614) has the molecular formula C20H14FIN2O2S and a molecular weight of 492.31 g/mol. Its IUPAC name is 7-fluoro-4-(2-iodobenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.

Molecular Properties

Compound Name7-fluoro-4-(2-iodobenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
PubChem CID23790614
Molecular FormulaC20H14FIN2O2S
Molecular Weight492.31 g/mol
Exact Mass491.98
IUPAC Name7-fluoro-4-(2-iodobenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one
SMILESO=C1CN(C(=O)c2ccccc2I)C(c2cccs2)c2cc(F)ccc2N1
InChIInChI=1S/C20H14FIN2O2S/c21-12-7-8-16-14(10-12)19(17-6-3-9-27-17)24(11-18(25)23-16)20(26)13-4-1-2-5-15(13)22/h1-10,19H,11H2,(H,23,25)
InChIKeyFTLNVTXWXCGBJD-UHFFFAOYSA-N
XLogP4.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.31
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-(2-iodobenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The IUPAC name of 7-fluoro-4-(2-iodobenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one (CID 23790614) is 7-fluoro-4-(2-iodobenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one.
What is the SMILES notation for 7-fluoro-4-(2-iodobenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The canonical SMILES for 7-fluoro-4-(2-iodobenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is O=C1CN(C(=O)c2ccccc2I)C(c2cccs2)c2cc(F)ccc2N1.
What is the InChIKey of 7-fluoro-4-(2-iodobenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
The InChIKey is FTLNVTXWXCGBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14FIN2O2S/c21-12-7-8-16-14(10-12)19(17-6-3-9-27-17)24(11-18(25)23-16)20(26)13-4-1-2-5-15(13)22/h1-10,19H,11H2,(H,23,25).
What are the key properties of 7-fluoro-4-(2-iodobenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one?
7-fluoro-4-(2-iodobenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one has a molecular weight of 492.31 g/mol, XLogP of 4.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-(2-iodobenzoyl)-5-thiophen-2-yl-3,5-dihydro-1H-1,4-benzodiazepin-2-one is sourced from PubChem (CID 23790614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).