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

C23H18FN3O3 — CID 14208206

IUPACN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-hydroxy-2-phenylacetamide
SMILESO=C1Nc2ccccc2C(c2ccccc2F)=NC1NC(=O)C(O)c1ccccc1
InChIInChI=1S/C23H18FN3O3/c24-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)25-23(30)21(26-19)27-22(29)20(28)14-8-2-1-3-9-14/h1-13,20-21,28H,(H,25,30)(H,27,29)
InChIKeyGIEFIYDVZICVLM-UHFFFAOYSA-N
MW403.41 g/mol
LogP2.79
Rot. Bonds4

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

N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-hydroxy-2-phenylacetamide (PubChem CID 14208206) has the molecular formula C23H18FN3O3 and a molecular weight of 403.41 g/mol. Its IUPAC name is N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-hydroxy-2-phenylacetamide
PubChem CID14208206
Molecular FormulaC23H18FN3O3
Molecular Weight403.41 g/mol
Exact Mass403.13
IUPAC NameN-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-hydroxy-2-phenylacetamide
SMILESO=C1Nc2ccccc2C(c2ccccc2F)=NC1NC(=O)C(O)c1ccccc1
InChIInChI=1S/C23H18FN3O3/c24-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)25-23(30)21(26-19)27-22(29)20(28)14-8-2-1-3-9-14/h1-13,20-21,28H,(H,25,30)(H,27,29)
InChIKeyGIEFIYDVZICVLM-UHFFFAOYSA-N
XLogP2.79
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(alphaS)-N-((1S)-2-(((7S)-6,7-Dihydro-5-methyl-6-oxo-5H-dibenz(b,d)azepin-7-yl)amino)-1-methyl-2-oxoethyl)-3,5-difluoro-alpha-hydroxybenzeneacetamide
CID 10435235
(2S,3R)-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)-4-hydroxy-N-[(3S)1-methyl-2-oxo-5-phenyl-2,3-dihydro-1H-1,4benzodiazepin-3-yl]butanamide
CID 9985203
(2S)-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)-3-hydroxy-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide
CID 44312755
(2R,3S)-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)-4-hydroxy-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanamide
CID 44313191
(2R,3S)-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)-4-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]butanamide
CID 44313329
(2R,3R)-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)-3-hydroxy-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]propanamide
CID 11092791
3-(3,4-difluorophenyl)-4-hydroxy-2-methyl-N-[(3S)-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl]butanamide
CID 44313179
(2R,3S)-3-(3,4-difluorophenyl)-2-(4-fluorophenyl)-5-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]pentanamide
CID 44313084
N-[5-(2-Fluoro-phenyl)-1-methyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-2-ylmethyl]-2-hydroxy-2-phenyl-acetamide
CID 44360121
LY-411575 (isomer 3)
CID 78357871
(2S,3R)-N'-[(3S)-5-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)butanediamide
CID 73506101
(2S,3R)-N'-[(3S)-5-(3-fluorophenyl)-9-(hydroxymethyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2,3-bis(3,3,3-trifluoropropyl)butanediamide
CID 73506324

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-hydroxy-2-phenylacetamide (CID 14208206) is N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-hydroxy-2-phenylacetamide is O=C1Nc2ccccc2C(c2ccccc2F)=NC1NC(=O)C(O)c1ccccc1.
What is the InChIKey of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-hydroxy-2-phenylacetamide?
The InChIKey is GIEFIYDVZICVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN3O3/c24-17-12-6-4-10-15(17)19-16-11-5-7-13-18(16)25-23(30)21(26-19)27-22(29)20(28)14-8-2-1-3-9-14/h1-13,20-21,28H,(H,25,30)(H,27,29).
What are the key properties of N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-hydroxy-2-phenylacetamide?
N-[5-(2-fluorophenyl)-2-oxo-1,3-dihydro-1,4-benzodiazepin-3-yl]-2-hydroxy-2-phenylacetamide has a molecular weight of 403.41 g/mol, XLogP of 2.79, 4 rotatable bonds, 3 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]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 14208206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).