2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide

C22H17N3O3 — CID 5279184

IUPAC2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
SMILESO=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccccc1O
InChIInChI=1S/C22H17N3O3/c26-18-13-7-5-11-16(18)21(27)25-20-22(28)23-17-12-6-4-10-15(17)19(24-20)14-8-2-1-3-9-14/h1-13,20,26H,(H,23,28)(H,25,27)/t20-/m1/s1
InChIKeyNWAHACSJMXNBDX-HXUWFJFHSA-N
MW371.40 g/mol
LogP2.94
Rot. Bonds3

About 2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide

2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide (PubChem CID 5279184) has the molecular formula C22H17N3O3 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
PubChem CID5279184
Molecular FormulaC22H17N3O3
Molecular Weight371.40 g/mol
Exact Mass371.13
IUPAC Name2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide
SMILESO=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccccc1O
InChIInChI=1S/C22H17N3O3/c26-18-13-7-5-11-16(18)21(27)25-20-22(28)23-17-12-6-4-10-15(17)19(24-20)14-8-2-1-3-9-14/h1-13,20,26H,(H,23,28)(H,25,27)/t20-/m1/s1
InChIKeyNWAHACSJMXNBDX-HXUWFJFHSA-N
XLogP2.94
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
The IUPAC name of 2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide (CID 5279184) is 2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide.
What is the SMILES notation for 2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
The canonical SMILES for 2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide is O=C(N[C@H]1N=C(c2ccccc2)c2ccccc2NC1=O)c1ccccc1O.
What is the InChIKey of 2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
The InChIKey is NWAHACSJMXNBDX-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H17N3O3/c26-18-13-7-5-11-16(18)21(27)25-20-22(28)23-17-12-6-4-10-15(17)19(24-20)14-8-2-1-3-9-14/h1-13,20,26H,(H,23,28)(H,25,27)/t20-/m1/s1.
What are the key properties of 2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide?
2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide has a molecular weight of 371.40 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(3S)-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl]benzamide is sourced from PubChem (CID 5279184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).