2-anilino-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide

C23H19FN4O2 — CID 14208209

IUPAC2-anilino-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide
SMILESO=C(CNc1ccccc1)NC1N=C(c2ccccc2F)c2ccccc2NC1=O
InChIInChI=1S/C23H19FN4O2/c24-18-12-6-4-10-16(18)21-17-11-5-7-13-19(17)26-23(30)22(28-21)27-20(29)14-25-15-8-2-1-3-9-15/h1-13,22,25H,14H2,(H,26,30)(H,27,29)
InChIKeyGVZNSDFOMPXOGV-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.17
Rot. Bonds5

About 2-anilino-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide

2-anilino-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide (PubChem CID 14208209) has the molecular formula C23H19FN4O2 and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-anilino-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide.

Molecular Properties

Compound Name2-anilino-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide
PubChem CID14208209
Molecular FormulaC23H19FN4O2
Molecular Weight402.43 g/mol
Exact Mass402.15
IUPAC Name2-anilino-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide
SMILESO=C(CNc1ccccc1)NC1N=C(c2ccccc2F)c2ccccc2NC1=O
InChIInChI=1S/C23H19FN4O2/c24-18-12-6-4-10-16(18)21-17-11-5-7-13-19(17)26-23(30)22(28-21)27-20(29)14-25-15-8-2-1-3-9-15/h1-13,22,25H,14H2,(H,26,30)(H,27,29)
InChIKeyGVZNSDFOMPXOGV-UHFFFAOYSA-N
XLogP3.17
TPSA82.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide?
The IUPAC name of 2-anilino-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide (CID 14208209) is 2-anilino-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide.
What is the SMILES notation for 2-anilino-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide?
The canonical SMILES for 2-anilino-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide is O=C(CNc1ccccc1)NC1N=C(c2ccccc2F)c2ccccc2NC1=O.
What is the InChIKey of 2-anilino-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide?
The InChIKey is GVZNSDFOMPXOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O2/c24-18-12-6-4-10-16(18)21-17-11-5-7-13-19(17)26-23(30)22(28-21)27-20(29)14-25-15-8-2-1-3-9-15/h1-13,22,25H,14H2,(H,26,30)(H,27,29).
What are the key properties of 2-anilino-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide?
2-anilino-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide has a molecular weight of 402.43 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]acetamide is sourced from PubChem (CID 14208209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).