N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-hydroxy-1H-indole-2-carboxamide

C24H17FN4O3 — CID 14208234

IUPACN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-hydroxy-1H-indole-2-carboxamide
SMILESO=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C24H17FN4O3/c25-17-7-3-1-5-15(17)21-16-6-2-4-8-19(16)27-24(32)22(28-21)29-23(31)20-12-13-11-14(30)9-10-18(13)26-20/h1-12,22,26,30H,(H,27,32)(H,29,31)
InChIKeyLKNVCDRXNOTZEB-UHFFFAOYSA-N
MW428.42 g/mol
LogP3.56
Rot. Bonds3

About N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-hydroxy-1H-indole-2-carboxamide

N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-hydroxy-1H-indole-2-carboxamide (PubChem CID 14208234) has the molecular formula C24H17FN4O3 and a molecular weight of 428.42 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-hydroxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-hydroxy-1H-indole-2-carboxamide
PubChem CID14208234
Molecular FormulaC24H17FN4O3
Molecular Weight428.42 g/mol
Exact Mass428.13
IUPAC NameN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-hydroxy-1H-indole-2-carboxamide
SMILESO=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2cc(O)ccc2[nH]1
InChIInChI=1S/C24H17FN4O3/c25-17-7-3-1-5-15(17)21-16-6-2-4-8-19(16)27-24(32)22(28-21)29-23(31)20-12-13-11-14(30)9-10-18(13)26-20/h1-12,22,26,30H,(H,27,32)(H,29,31)
InChIKeyLKNVCDRXNOTZEB-UHFFFAOYSA-N
XLogP3.56
TPSA106.58 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-hydroxy-1H-indole-2-carboxamide?
The IUPAC name of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-hydroxy-1H-indole-2-carboxamide (CID 14208234) is N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-hydroxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-hydroxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-hydroxy-1H-indole-2-carboxamide is O=C(NC1N=C(c2ccccc2F)c2ccccc2NC1=O)c1cc2cc(O)ccc2[nH]1.
What is the InChIKey of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-hydroxy-1H-indole-2-carboxamide?
The InChIKey is LKNVCDRXNOTZEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O3/c25-17-7-3-1-5-15(17)21-16-6-2-4-8-19(16)27-24(32)22(28-21)29-23(31)20-12-13-11-14(30)9-10-18(13)26-20/h1-12,22,26,30H,(H,27,32)(H,29,31).
What are the key properties of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-hydroxy-1H-indole-2-carboxamide?
N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-hydroxy-1H-indole-2-carboxamide has a molecular weight of 428.42 g/mol, XLogP of 3.56, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-5-hydroxy-1H-indole-2-carboxamide is sourced from PubChem (CID 14208234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).